Geometry & MOs

Info

ID:

399141

PubChem CID:

135038166

Reduced:

OC10H17 (1)

Stoich.:

AB10C17 (1)

Weight, g/mol:

305.04153

ΔHf, kcal/mol:

-41.07

Dipole, Da:

2.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.916713

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/C=[OH+])/C)C

DOS

IR

Vibrations