Geometry & MOs

Info

ID:	294895
PubChem CID:	117502846
Reduced:	BrO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	316.06741
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	3.99
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-ethyl-2,4-dimethoxyphenyl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1C(C)(C)CO)Br)OC)OC

DOS

IR

Vibrations