Geometry & MOs

Info

ID:	27387
PubChem CID:	821039
Reduced:	NO2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-13.23
Dipole, Da:	3.72
IP(EA), eV:	-10.09(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(2-methoxyphenyl)methyl]-4-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

C1COC(O1)(C=CC2=CC=CC=C2[N+](=O)[O-])C3=CC=NC=C3

DOS

IR

Vibrations