Geometry & MOs

Info

ID:	224217
PubChem CID:	85340166
Reduced:	OC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	306.120213
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	2.22
IP(EA), eV:	-8.14(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2-[(3-fluorophenyl)sulfanylmethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC=C1CCCC1CCC2CCCC3=CC(=C(C=C23)OC)O

DOS

IR

Vibrations