Geometry & MOs

Info

ID:	249663
PubChem CID:	103091191
Reduced:	BrOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	226.076057
ΔH_f, kcal/mol:	-21.39
Dipole, Da:	3.18
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2-chloro-6-methoxyphenyl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=C(C=CS1)Br)/C)O

DOS

IR

Vibrations