Geometry & MOs

Info

ID:	404374
PubChem CID:	135066044
Reduced:	ClOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	238.135765
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	2.94
IP(EA), eV:	-9.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methylphenyl)-4-phenylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=CC=C1)/C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations