Geometry & MOs

Info

ID:	198691
PubChem CID:	79137333
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	279.143471
ΔH_f, kcal/mol:	18.03
Dipole, Da:	3.26
IP(EA), eV:	-9.33(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-difluorophenyl)-hydroxymethyl]-3-ethylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2(CCC3=CC=CC=C32)C#N)O

DOS

IR

Vibrations