Geometry & MOs

Info

ID:	361571
PubChem CID:	127303835
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-36.36
Dipole, Da:	8.63
IP(EA), eV:	-8.88(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)N2CCCC(C2)C3=NN=CN3C4CC4

DOS

IR

Vibrations