Geometry & MOs

Info

ID:	372559
PubChem CID:	131299671
Reduced:	NOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-1.62
Dipole, Da:	5.66
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroxyphenyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(CCCS2)(C#N)O

DOS

IR

Vibrations