Geometry & MOs

Info

ID:	200744
PubChem CID:	79436212
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	334.05684
ΔH_f, kcal/mol:	-68.4
Dipole, Da:	4.69
IP(EA), eV:	-9.39(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CCC=C)C(=O)O

DOS

IR

Vibrations