Geometry & MOs

Info

ID:	166085
PubChem CID:	74635386
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	374.171596
ΔH_f, kcal/mol:	-77.7
Dipole, Da:	1.13
IP(EA), eV:	-9.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]-[(2-methoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(=CC2=CC=CC=C2Cl)C(=O)OC

DOS

IR

Vibrations