Geometry & MOs

Info

ID:	399047
PubChem CID:	135037300
Reduced:	OCl3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	8.35
Dipole, Da:	3.26
IP(EA), eV:	-9.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylimino-6-oxocyclohexyl)-phenylcarbamic acid

Drug info:

PubChemData

Smile

C=CC#CCOCC(Cl)(Cl)Cl

DOS

IR

Vibrations