Geometry & MOs

Info

ID:	84974
PubChem CID:	49871046
Reduced:	O5C20H24 (1)
Stoich.:	A5B20C24 (1)
Weight, g/mol:	288.03611
ΔH_f, kcal/mol:	-187.57
Dipole, Da:	5.55
IP(EA), eV:	-9.59(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)ethanol

Drug info:

PubChemData

Smile

CC1=CC[C@@]2([C@H]1[C@H]3[C@@H]([C@H](C=C2C)OC(=O)C=C(C)C)C(=C)C(=O)O3)O

DOS

IR

Vibrations