Geometry & MOs

Info

ID:	167195
PubChem CID:	74793216
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	447.239616
ΔH_f, kcal/mol:	-134.39
Dipole, Da:	1.77
IP(EA), eV:	-9.18(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC2(CC1)C(C(C3=CC=CC=C23)NC(=O)C4=CC=CC=C4OC)OC

DOS

IR

Vibrations