Geometry & MOs

Info

ID:	257338
PubChem CID:	103145360
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-51.93
Dipole, Da:	9.43
IP(EA), eV:	-9.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCNCC(=O)NC1=C(C=C(C(=C1)C)[N+](=O)[O-])C

DOS

IR

Vibrations