Geometry & MOs

Info

ID:	195345
PubChem CID:	78675930
Reduced:	ClN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	374.171596
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	4.72
IP(EA), eV:	-9.28(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-methyl-[1-(2-nitroanilino)-1-oxopropan-2-yl]azanium

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations