Geometry & MOs

Info

ID:	232997
PubChem CID:	87577913
Reduced:	BrN2O4C25H29 (1)
Stoich.:	AB2C4D25E29 (1)
Weight, g/mol:	189.027202
ΔH_f, kcal/mol:	-149.11
Dipole, Da:	7.25
IP(EA), eV:	-9.05(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-hydroxy-2-(trideuteriomethyl)benzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN(C(=O)C2=CC=CC3=C2C4(CCNCC4)CC3CC(=O)O)Br

DOS

IR

Vibrations