Geometry & MOs

Info

ID:	297928
PubChem CID:	117636502
Reduced:	FO3N5H26C29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	522.1015
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	7.82
IP(EA), eV:	-8.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=CC=C2)F)CC(=O)N3CCC4=C3C=CC(=C4)NC5=NC=NC6=CC(=C(C=C65)OC)OC

DOS

IR

Vibrations