Geometry & MOs

Info

ID:	399066
PubChem CID:	135037452
Reduced:	FO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	3.11
IP(EA), eV:	-10.07(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(1R)-1-cyano-2-phenylcyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(=C)COC(=O)C1(CC2=CC=CC=C2C1=O)F

DOS

IR

Vibrations