Geometry & MOs

Info

ID:	355423
PubChem CID:	127288486
Reduced:	SO2N6C15H16 (1)
Stoich.:	AB2C6D15E16 (1)
Weight, g/mol:	323.149458
ΔH_f, kcal/mol:	16.6
Dipole, Da:	2.36
IP(EA), eV:	-9.2(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,2,4-triazol-1-yl)phenyl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C=NC3=C(C2=O)C=CS3)N4C=NC=N4

DOS

IR

Vibrations