Geometry & MOs

Info

ID:	406380
PubChem CID:	135077397
Reduced:	OC17H22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	392.115477
ΔH_f, kcal/mol:	-5.16
Dipole, Da:	1.9
IP(EA), eV:	-9.31(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-(4-chlorophenyl)-2,3-diethyl-1-[4-(trifluoromethyl)phenyl]pent-2-en-4-yn-1-ol

Drug info:

PubChemData

Smile

CCCCC#C/C=C(/CC)\C(C1=CC=CC=C1)O

DOS

IR

Vibrations