Geometry & MOs

Info

ID:

436340

PubChem CID:

135199114

Reduced:

N3H63C65 (1)

Stoich.:

A3B63C65 (1)

Weight, g/mol:

299.118238

ΔHf, kcal/mol:

284.58

Dipole, Da:

5.15

IP(EA), eV:

 -7.69(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5-cyclopropyl-4,5-dihydro-1H-pyrazol-3-yl)amino]-6-fluoroquinazoline-2-carbaldehyde

Drug info:

PubChemData

Smile

CC/C(=C\C(C)C1=CC2C(C=CC3C2C=CC(=C3)C(=NC4=C(C=CC5=C4NCCC5)C)CC)C=C1)/C6=NC=C(C7=CC8=C(C=C76)C9C=CC=CC9C8(C1=CC=CC=C1)C1=CC=CC=C1)/C=C\C=C

DOS

IR

Vibrations