Geometry & MOs

Info

ID:	55038
PubChem CID:	17389689
Reduced:	ClNC14H24 (1)
Stoich.:	ABC14D24 (1)
Weight, g/mol:	162.042927
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	3.22
IP(EA), eV:	-9.21(2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isocyano-2-methyl-4-nitrobenzene

Drug info:

PubChemData

Smile

C1CC(NC1)C23CC4CC(C2)CC(C4)C3.Cl

DOS

IR

Vibrations