Geometry & MOs

Info

ID:	367117
PubChem CID:	127323388
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-85.2
Dipole, Da:	10.24
IP(EA), eV:	-8.46(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrrolidin-2-yl)methyl]-4-ethylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)NCC3CCCN3CC4=CC=CC=C4

DOS

IR

Vibrations