Geometry & MOs

Info

ID:	57796
PubChem CID:	24277408
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	284.09094
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	4.86
IP(EA), eV:	-8.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCN(CC2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations