Geometry & MOs

Info

ID:	57798
PubChem CID:	24277426
Reduced:	O2N5H9C12 (1)
Stoich.:	A2B5C9D12 (1)
Weight, g/mol:	255.075625
ΔH_f, kcal/mol:	33.44
Dipole, Da:	7.62
IP(EA), eV:	-10.08(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations