Geometry & MOs

Info

ID:	265184
PubChem CID:	103512894
Reduced:	ClNO2H6C9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	199.038176
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	3.21
IP(EA), eV:	-9.89(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinoxaline-5-carbonyl isocyanate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations