Geometry & MOs

Info

ID:	395955
PubChem CID:	135027024
Reduced:	OSC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-28.52
Dipole, Da:	3.25
IP(EA), eV:	-8.28(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S)-1-(2-methylphenyl)pent-1-en-3-ol

Drug info:

PubChemData

Smile

CC(C)(/C=C/C1=CC=C(C=C1)SC)O

DOS

IR

Vibrations