Geometry & MOs

Info

ID:	285014
PubChem CID:	104090672
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-6.45
Dipole, Da:	2.82
IP(EA), eV:	-9.34(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-pent-4-ynylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(CCCC#C)O

DOS

IR

Vibrations