Geometry & MOs

Info

ID:	291708
PubChem CID:	113460178
Reduced:	ClOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	304.04628
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	2.46
IP(EA), eV:	-9.58(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-methyl-3-phenylpropyl)phenol

Drug info:

PubChemData

Smile

CC(C)CCOCCC(C)C(C1=CC=CC=C1)Cl

DOS

IR

Vibrations