Geometry & MOs

Info

ID:	26714
PubChem CID:	794734
Reduced:	ClO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	333.9953
ΔH_f, kcal/mol:	-20.25
Dipole, Da:	3.13
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3,4-dihydroxyphenyl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

C1[C@H](C(=O)N(C1=O)C2=CC(=CC=C2)Cl)NNC3=CC=CC=C3

DOS

IR

Vibrations