Geometry & MOs

Info

ID:	342833
PubChem CID:	127265996
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	336.131029
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	2.13
IP(EA), eV:	-8.87(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-(3-methylpyridin-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)C=CC3CCOC3

DOS

IR

Vibrations