Geometry & MOs

Info

ID:	173222
PubChem CID:	75611609
Reduced:	BrN5C19H20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	502.93032
ΔH_f, kcal/mol:	121.12
Dipole, Da:	8.2
IP(EA), eV:	-7.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dibromo-6-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate

Drug info:

PubChemData

Smile

CC(=NC1=C(C2=CC=CC=C2N1C)N=NC3=CC=C(C=C3)Br)N(C)C

DOS

IR

Vibrations