Geometry & MOs

Info

ID:	131271
PubChem CID:	51185264
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-137.66
Dipole, Da:	3.21
IP(EA), eV:	-8.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations