Geometry & MOs

Info

ID:	381579
PubChem CID:	134972360
Reduced:	NC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	95.11
Dipole, Da:	4.57
IP(EA), eV:	-8.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C1CC=C2CN3C=CN=C3C2C1

DOS

IR

Vibrations