Geometry & MOs

Info

ID:	357119
PubChem CID:	127293345
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	341.109959
ΔH_f, kcal/mol:	-4.63
Dipole, Da:	5.32
IP(EA), eV:	-9.74(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(oxolan-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCOC1)C(=O)C2=CN3C=NN=C3C=C2

DOS

IR

Vibrations