Geometry & MOs

Info

ID:	22251
PubChem CID:	596415
Reduced:	N2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-65.2
Dipole, Da:	4.19
IP(EA), eV:	-8.56(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3,4-dimethoxyphenyl)methylideneamino] 3-methyl-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)ON=CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations