Geometry & MOs

Info

ID:	305933
PubChem CID:	124975150
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	21.72
Dipole, Da:	3.46
IP(EA), eV:	-9.39(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C2=NC=CN=C2[C@@H]3CCCN3C(=O)C

DOS

IR

Vibrations