Geometry & MOs

Info

ID:	297925
PubChem CID:	117636486
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	479.19574
ΔH_f, kcal/mol:	58.34
Dipole, Da:	1.55
IP(EA), eV:	-9.35(-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-indol-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)NC(=O)N(C2=CC=CC=C2)C3=NC=NC=N3

DOS

IR

Vibrations