Geometry & MOs

Info

ID:	305500
PubChem CID:	124957375
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	6.65
IP(EA), eV:	-9.09(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CCO[C@](C2)(C)C(=O)N

DOS

IR

Vibrations