Geometry & MOs

Info

ID:

134255

PubChem CID:

51670011

Reduced:

BrNOC13H21 (1)

Stoich.:

ABCD13E21 (1)

Weight, g/mol:

348.0963

ΔHf, kcal/mol:

-26.42

Dipole, Da:

7.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.072600

Charge, e:

 1

Chem-info

IUPAC name:

[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl-propan-2-ylazanium

Drug info:

PubChemData

Smile

CCC[NH2+]CC1=C(C=CC(=C1)Br)OC(C)C

DOS

IR

Vibrations