Geometry & MOs

Info

ID:	361118
PubChem CID:	127302034
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-74.55
Dipole, Da:	8.64
IP(EA), eV:	-8.7(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations