Geometry & MOs

Info

ID:	297927
PubChem CID:	117636491
Reduced:	O2N3H13C14 (2)
Stoich.:	A2B3C13D14 (2)
Weight, g/mol:	511.201968
ΔH_f, kcal/mol:	-5.67
Dipole, Da:	6.52
IP(EA), eV:	-8.17(-0.85)
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-(7-fluoro-2-methyl-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=COC=C2)CC(=O)N3CCC4=C3C=CC(=C4)NC5=NC=NC6=CC(=C(C=C65)OC)OC

DOS

IR

Vibrations