Geometry & MOs

Info

ID:	343206
PubChem CID:	127266379
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	6.29
IP(EA), eV:	-9.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-3,5-dimethyl-N-(2-methyl-3-nitrophenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)N(C)C2CCN(C2)C

DOS

IR

Vibrations