Geometry & MOs

Info

ID:	297917
PubChem CID:	117636458
Reduced:	ON2H8C9 (3)
Stoich.:	AB2C8D9 (3)
Weight, g/mol:	498.19032
ΔH_f, kcal/mol:	16.5
Dipole, Da:	7.85
IP(EA), eV:	-8.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-acetylphenoxy)-1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(CC4)C(=O)CC5=CNC6=C5C=CC=N6)OC

DOS

IR

Vibrations