Geometry & MOs

Info

ID:	220488
PubChem CID:	85195551
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	5.2
IP(EA), eV:	-9.49(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetradec-7-yne-5,6-diol

Drug info:

PubChemData

Smile

C1CC2CCC(=O)C=C2C(C1)C3=CC=CC=C3

DOS

IR

Vibrations