Geometry & MOs

Info

ID:	122099
PubChem CID:	50794166
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	487.204196
ΔH_f, kcal/mol:	-104.64
Dipole, Da:	8.1
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)COC(=O)C3=C(C(=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

DOS

IR

Vibrations