Geometry & MOs

Info

ID:	57797
PubChem CID:	24277422
Reduced:	O3N4H12C14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	255.075625
ΔH_f, kcal/mol:	-18.86
Dipole, Da:	10.44
IP(EA), eV:	-9.59(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC2=NN=C(N12)C3=CC(=CC=C3)OC)C(=O)O

DOS

IR

Vibrations