Geometry & MOs

Info

ID:	447538
PubChem CID:	135283699
Reduced:	O5H8C9 (1)
Stoich.:	A5B8C9 (1)
Weight, g/mol:	401.90613
ΔH_f, kcal/mol:	-168.59
Dipole, Da:	5.71
IP(EA), eV:	-10.31(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chlorobenzaldehyde;4-chloro-2-formylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(C(C=C1)(C=O)C(=O)O)C(=O)O

DOS

IR

Vibrations