Geometry & MOs

Info

ID:	350641
PubChem CID:	127278676
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-126.49
Dipole, Da:	7.57
IP(EA), eV:	-8.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCO1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations