Geometry & MOs

Info

ID:	305919
PubChem CID:	124974120
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	-64.68
Dipole, Da:	1.91
IP(EA), eV:	-9.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-methyl-4-(3-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@@H](C1)C2=CN=CO2

DOS

IR

Vibrations