Geometry & MOs

Info

ID:	157102
PubChem CID:	56422128
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	18.27
Dipole, Da:	5.97
IP(EA), eV:	-8.58(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)N)SC1=NC=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations