Geometry & MOs

Info

ID:	285009
PubChem CID:	104090606
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-3.55
Dipole, Da:	1.67
IP(EA), eV:	-9.24(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4-trimethoxyphenyl)hex-5-yn-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations