Geometry & MOs

Info

ID:	354059
PubChem CID:	127285858
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-14.94
Dipole, Da:	3.56
IP(EA), eV:	-8.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C(=O)NC3=CC4=C(C=C3)N=C(N4)N5CCOCC5

DOS

IR

Vibrations