Geometry & MOs

Info

ID:	130766
PubChem CID:	51103424
Reduced:	O4N5H13C14 (1)
Stoich.:	A4B5C13D14 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	5.55
IP(EA), eV:	-10.46(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(1-methylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1=NN(N=N1)CCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations