Geometry & MOs

Info

ID:	343539
PubChem CID:	127266712
Reduced:	O2N7C14H19 (1)
Stoich.:	A2B7C14D19 (1)
Weight, g/mol:	326.146679
ΔH_f, kcal/mol:	64.51
Dipole, Da:	5.57
IP(EA), eV:	-9.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)N2CCC(CC2)N3C(=NN=C3N)C)[N+](=O)[O-]

DOS

IR

Vibrations