Geometry & MOs

Info

ID:	297916
PubChem CID:	117636457
Reduced:	ON2H8C9 (3)
Stoich.:	AB2C8D9 (3)
Weight, g/mol:	480.190989
ΔH_f, kcal/mol:	28.05
Dipole, Da:	3.73
IP(EA), eV:	-8.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(CC4)C(=O)CC5=C6C=CC=CC6=NN5)OC

DOS

IR

Vibrations