Geometry & MOs

Info

ID:	5853
PubChem CID:	13907
Reduced:	NOH4C5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	188.058578
ΔH_f, kcal/mol:	-17.27
Dipole, Da:	5.44
IP(EA), eV:	-10.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(isocyanatomethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN=C=O)CN=C=O

DOS

IR

Vibrations