Geometry & MOs

Info

ID:	144761
PubChem CID:	53408839
Reduced:	ClON3C8H12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	243.97351
ΔH_f, kcal/mol:	-24.11
Dipole, Da:	3.22
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-ethoxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)(CO)NC1=CN=CC(=N1)Cl

DOS

IR

Vibrations