Geometry & MOs

Info

ID:	328782
PubChem CID:	126727730
Reduced:	NC20H23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	577.268905
ΔH_f, kcal/mol:	40.81
Dipole, Da:	1.9
IP(EA), eV:	-8.78(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-tert-butyl-2-pyridin-2-yl-2H-pyrrol-3-yl)-1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-iminopentan-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=NC=C)C2=C(C=C(C(=C2)C)C)C

DOS

IR

Vibrations