Geometry & MOs

Info

ID:	356819
PubChem CID:	127292359
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	5.88
IP(EA), eV:	-9.08(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)N2CCCCC2C3=NC=CN3)C4=CC=CC=C4

DOS

IR

Vibrations