Geometry & MOs

Info

ID:	137499
PubChem CID:	52214860
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	358.158923
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	3.73
IP(EA), eV:	-8.99(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C(=O)N[C@@H](C2=CC=CC=C2OC)C3=NC=CN3C

DOS

IR

Vibrations