Geometry & MOs

Info

ID:	156148
PubChem CID:	56369326
Reduced:	ON5C26H31 (1)
Stoich.:	AB5C26D31 (1)
Weight, g/mol:	448.283826
ΔH_f, kcal/mol:	40.41
Dipole, Da:	3.32
IP(EA), eV:	-8.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpiperidin-3-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=CC=N2)CNC(=O)N(C)CC3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations