Geometry & MOs

Info

ID:	249649
PubChem CID:	103091142
Reduced:	BrOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	247.076392
ΔH_f, kcal/mol:	-36.66
Dipole, Da:	1.18
IP(EA), eV:	-9.3(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C(\C)/C(C)O)Br

DOS

IR

Vibrations