Geometry & MOs

Info

ID:

378992

PubChem CID:

134228789

Reduced:

N2H34C45 (2)

Stoich.:

A2B34C45 (2)

Weight, g/mol:

360.125863

ΔHf, kcal/mol:

392.67

Dipole, Da:

2.08

IP(EA), eV:

 -7.74(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(4-amino-5-fluoropyrimidin-2-yl)amino]-2-cyclopropyl-4-fluorophenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

C1C=C(C=CC1N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations