Geometry & MOs

Info

ID:	331226
PubChem CID:	127248633
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-149.15
Dipole, Da:	5.14
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(N=CC=C1)C2CCN(C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations