Geometry & MOs

Info

ID:	161191
PubChem CID:	57391009
Reduced:	Cl2O2N4C9H12 (1)
Stoich.:	A2B2C4D9E12 (1)
Weight, g/mol:	242.057053
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	3.55
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-chloro-N-(diaminomethylidene)-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)N=C(N)N)Cl)N.Cl

DOS

IR

Vibrations