Geometry & MOs

Info

ID:

395561

PubChem CID:

135025822

Reduced:

NH8C11 (1)

Stoich.:

AB8C11 (1)

Weight, g/mol:

377.01637

ΔHf, kcal/mol:

103.08

Dipole, Da:

2.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.888600

Charge, e:

 0

Chem-info

IUPAC name:

(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C[C+]=N2

DOS

IR

Vibrations