Geometry & MOs

Info

ID:

410956

PubChem CID:

135083760

Reduced:

BF3C8H11 (1)

Stoich.:

AB3C8D11 (1)

Weight, g/mol:

286.99458

ΔHf, kcal/mol:

-218.87

Dipole, Da:

10.6

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.814377

Charge, e:

0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methylidene]benzamide

Drug info:

PubChemData

Smile

[B-](/C=C\C1=CCCCC1)(F)(F)F

DOS

IR

Vibrations