Geometry & MOs

Info

ID:	357769
PubChem CID:	127294556
Reduced:	O3N7C19H23 (1)
Stoich.:	A3B7C19D23 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	9.4
IP(EA), eV:	-9.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)C(=O)C3=NC4=C(C=C3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations