Geometry & MOs

Info

ID:

399616

PubChem CID:

135041247

Reduced:

ON2H11C15 (1)

Stoich.:

AB2C11D15 (1)

Weight, g/mol:

336.02735

ΔHf, kcal/mol:

79.21

Dipole, Da:

6.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.875152

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-bromo-N-methylanilino)methyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2N(C1=[N])C(=O)C3=CC=CC=C3

DOS

IR

Vibrations