Geometry & MOs

Info

ID:	411078
PubChem CID:	135083888
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	216.076199
ΔH_f, kcal/mol:	-100.06
Dipole, Da:	1.52
IP(EA), eV:	-9.27(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

Drug info:

PubChemData

Smile

C1C[C@@H](C=C[C@H]1O)OCOCC2=CC=CC=C2

DOS

IR

Vibrations