Geometry & MOs

Info

ID:	222711
PubChem CID:	85332059
Reduced:	O4C31H46 (1)
Stoich.:	A4B31C46 (1)
Weight, g/mol:	482.13174
ΔH_f, kcal/mol:	-183.02
Dipole, Da:	4.2
IP(EA), eV:	-8.68(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-2H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2CC=CC(C4CC4)OC(=O)C(C)(C)C

DOS

IR

Vibrations