Geometry & MOs

Info

ID:	261506
PubChem CID:	103236908
Reduced:	NO2Cl3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	374.91769
ΔH_f, kcal/mol:	-58.42
Dipole, Da:	3.81
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-2,6-dichloroanilino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)O

DOS

IR

Vibrations