Geometry & MOs

Info

ID:	2365
PubChem CID:	7072
Reduced:	NOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	264.089878
ΔH_f, kcal/mol:	-7.61
Dipole, Da:	0.86
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O

DOS

IR

Vibrations