Geometry & MOs

Info

ID:	27896
PubChem CID:	824060
Reduced:	OF3N3H8C12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	258.040734
ΔH_f, kcal/mol:	-117.95
Dipole, Da:	9.65
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(3-chlorophenyl)carbamoyloxy]-N-methylcarbamate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C(=C2N)C#N)C(F)(F)F

DOS

IR

Vibrations