Geometry & MOs

Info

ID:	349367
PubChem CID:	127275154
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-127.84
Dipole, Da:	9.37
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCOCC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations