Geometry & MOs

Info

ID:	10680
PubChem CID:	106599
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-49.65
Dipole, Da:	6.97
IP(EA), eV:	-8.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate

Drug info:

PubChemData

Smile

CN(C)C=CC1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations