Geometry & MOs

Info

ID:	206250
PubChem CID:	80223397
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	0.01
Dipole, Da:	0.78
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-2-yl)-(3,5-dimethylcyclohexyl)methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)N)C(C2=NC=C(C=C2)Cl)O

DOS

IR

Vibrations