Geometry & MOs

Info

ID:	18659
PubChem CID:	545430
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-121.53
Dipole, Da:	6.04
IP(EA), eV:	-10.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-nitrocyclohex-2-en-1-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1CC=C(C(C1)OC(=O)C(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations