Geometry & MOs

Info

ID:	2472
PubChem CID:	7672
Reduced:	NOH5C7 (1)
Stoich.:	ABC5D7 (1)
Weight, g/mol:	119.037114
ΔH_f, kcal/mol:	6.13
Dipole, Da:	3.01
IP(EA), eV:	-9.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isocyanatobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations