Geometry & MOs

Info

ID:	56674
PubChem CID:	21317854
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	164.998141
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	2.92
IP(EA), eV:	-8.86(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isocyanobenzoyl chloride

Drug info:

PubChemData

Smile

CN(C)C(C1CCCCCC1O)C2=CC=CC=C2

DOS

IR

Vibrations