Geometry & MOs

Info

ID:

325144

PubChem CID:

126681411

Reduced:

FO2N5C34H34 (1)

Stoich.:

AB2C5D34E34 (1)

Weight, g/mol:

512.233602

ΔHf, kcal/mol:

21.11

Dipole, Da:

1.96

IP(EA), eV:

 -8.42(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

amino 3-[5-[[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]carbamoyl]-3-methylpyrazol-1-yl]benzenecarboximidate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(C3=C(C=CC4=CC=CC=C43)OC)NCC5CC5)F)C6=CC=CC(=C6)CN

DOS

IR

Vibrations