Geometry & MOs

Info

ID:	430512
PubChem CID:	135170578
Reduced:	ClNO2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	940.325656
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	2.69
IP(EA), eV:	-10.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C(C=C(C1=O)Cl)O

DOS

IR

Vibrations