Geometry & MOs

Info

ID:	369419
PubChem CID:	127333356
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	4.97
IP(EA), eV:	-8.59(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2,4-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)NC2=CC=CC=C2C)C

DOS

IR

Vibrations