Geometry & MOs

Info

ID:	911
PubChem CID:	3519
Reduced:	OCl2N3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	245.012267
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	2.81
IP(EA), eV:	-9.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl

DOS

IR

Vibrations