Geometry & MOs

Info

ID:	145665
PubChem CID:	53567945
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	338.121527
ΔH_f, kcal/mol:	2.88
Dipole, Da:	2.95
IP(EA), eV:	-8.99(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(C)C(C)N2C=C(C=N2)C

DOS

IR

Vibrations