Geometry & MOs

Info

ID:	85438
PubChem CID:	49875124
Reduced:	ClN2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	206.056566
ΔH_f, kcal/mol:	-129.77
Dipole, Da:	4.61
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(diazoniocarbamoyl)-2-methoxycarbonylbenzene

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)N2C(=O)CC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations