Geometry & MOs

Info

ID:	297921
PubChem CID:	117636474
Reduced:	O3N8C28H28 (1)
Stoich.:	A3B8C28D28 (1)
Weight, g/mol:	526.17871
ΔH_f, kcal/mol:	46.95
Dipole, Da:	5.6
IP(EA), eV:	-8.14(-0.87)
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-(2-methyl-4-thiophen-3-ylpyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations