Geometry & MOs

Info

ID:	137278
PubChem CID:	52182971
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	388.27125
ΔH_f, kcal/mol:	-95.66
Dipole, Da:	3.85
IP(EA), eV:	-9.08(0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C1=CC=CC=C1)NC(=O)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations