Geometry & MOs

Info

ID:	343522
PubChem CID:	127266695
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	338.110294
ΔH_f, kcal/mol:	20.11
Dipole, Da:	5.61
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-yl]methanol

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)NCC2=NC(=CC=C2)CO

DOS

IR

Vibrations