Geometry & MOs

Info

ID:	249646
PubChem CID:	103091108
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	182.076536
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	2.85
IP(EA), eV:	-8.63(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(5-methylthiophen-2-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2O1)/C=C(\C)/C(C)O

DOS

IR

Vibrations