Geometry & MOs

Info

ID:	58922
PubChem CID:	24716361
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	1.06
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-(2,5-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)C)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations