Geometry & MOs

Info

ID:	383742
PubChem CID:	134975636
Reduced:	OC10H16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	2.0
IP(EA), eV:	-9.9(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3,7-tetramethyloct-4-yne-2,7-diol

Drug info:

PubChemData

Smile

CC1([C@H]2CCC[C@H]2CC1=C)O

DOS

IR

Vibrations