Geometry & MOs

Info

ID:	249660
PubChem CID:	103091186
Reduced:	BrClOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	2.53
IP(EA), eV:	-9.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations