Geometry & MOs

Info

ID:	246001
PubChem CID:	103034664
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	334.03352
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	6.62
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-chlorophenyl)-5-methoxy-5-methylhexan-2-ol

Drug info:

PubChemData

Smile

CC(C)(CCN(C)CC1=CC=C(C=C1)C(=O)O)OC

DOS

IR

Vibrations