Geometry & MOs

Info

ID:	260709
PubChem CID:	103201003
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	365.95192
ΔH_f, kcal/mol:	-28.02
Dipole, Da:	9.82
IP(EA), eV:	-9.51(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(4-bromo-2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=CC=NC3=NC(=NN23)CC(=O)O

DOS

IR

Vibrations