Geometry & MOs

Info

ID:	407863
PubChem CID:	135080618
Reduced:	ClFNO2C9H11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	238.058299
ΔH_f, kcal/mol:	-109.53
Dipole, Da:	4.19
IP(EA), eV:	-11.17(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-2-chloro-3-phenylsulfanylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@]1(C[C@]1(CCl)F)C#N

DOS

IR

Vibrations