Geometry & MOs

Info

ID:	205319
PubChem CID:	80085541
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	238.095357
ΔH_f, kcal/mol:	-7.91
Dipole, Da:	5.97
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N,5-dimethyl-2-nitroanilino)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])N2CC(C2)(C3CC3)O

DOS

IR

Vibrations