Geometry & MOs

Info

ID:	302881
PubChem CID:	124398006
Reduced:	N2O2Cl3H7C14 (1)
Stoich.:	A2B2C3D7E14 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	51.01
Dipole, Da:	3.2
IP(EA), eV:	-9.93(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-2,6,6-trimethylcyclohexene-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](C#N)C2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations