Geometry & MOs

Info

ID:	30193
PubChem CID:	840563
Reduced:	BrOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	324.006848
ΔH_f, kcal/mol:	13.65
Dipole, Da:	1.74
IP(EA), eV:	-9.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(2,3-dihydroxyphenyl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

C1CC12C[C@@]2([C@H](C3=CC=CC=C3)O)Br

DOS

IR

Vibrations