Geometry & MOs

Info

ID:	30816
PubChem CID:	841965
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	331.124466
ΔH_f, kcal/mol:	-148.22
Dipole, Da:	2.66
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(difluoromethyl)-N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

DOS

IR

Vibrations