Geometry & MOs

Info

ID:	360366
PubChem CID:	127301011
Reduced:	FO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	4.3
IP(EA), eV:	-9.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CC=C(C=C2)F)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations