Geometry & MOs

Info

ID:	203795
PubChem CID:	79872450
Reduced:	O2F3N4H7C10 (1)
Stoich.:	A2B3C4D7E10 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	6.56
IP(EA), eV:	-9.1(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-(2,2-dimethylcyclohexyl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=CC(=N2)N)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations