Geometry & MOs

Info

ID:

147350

PubChem CID:

53787006

Reduced:

BrOH11C15 (1)

Stoich.:

ABC11D15 (1)

Weight, g/mol:

276.11503

ΔHf, kcal/mol:

68.84

Dipole, Da:

2.66

IP(EA), eV:

-9.06(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[(3-hydroxyphenyl)-phenylmethyl]phenol

Drug info:

PubChemData

Smile

C#CCC1=CC(=C(C=C1)Br)OC2=CC=CC=C2

DOS

IR

Vibrations