Geometry & MOs

Info

ID:	249656
PubChem CID:	103091168
Reduced:	BrOSC15H15 (1)
Stoich.:	ABCD15E15 (1)
Weight, g/mol:	196.065493
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	2.8
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(S1)C2=CC=C(C=C2)Br)/C)O

DOS

IR

Vibrations