Geometry & MOs

Info

ID:	357519
PubChem CID:	127294152
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-143.34
Dipole, Da:	4.11
IP(EA), eV:	-8.19(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations