Geometry & MOs

Info

ID:	203744
PubChem CID:	79863648
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-71.18
Dipole, Da:	5.2
IP(EA), eV:	-10.32(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-2,2-dimethylcyclopentyl)-4-methylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(C#N)C2(CCCC2(C)C)O)C

DOS

IR

Vibrations