Geometry & MOs

Info

ID:	26631
PubChem CID:	794243
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	316.02113
ΔH_f, kcal/mol:	-10.21
Dipole, Da:	5.17
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-methylphenyl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=NNC(=O)C2=NC=NN2)O

DOS

IR

Vibrations