Geometry & MOs

Info

ID:	13031
PubChem CID:	220082
Reduced:	ClNOH3C7 (2)
Stoich.:	ABCD3E7 (2)
Weight, g/mol:	303.980633
ΔH_f, kcal/mol:	-2.66
Dipole, Da:	1.45
IP(EA), eV:	-9.26(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3-chloro-4-isocyanatophenyl)-1-isocyanatobenzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=O

DOS

IR

Vibrations