Geometry & MOs

Info

ID:	68555
PubChem CID:	46508637
Reduced:	N3O4C28H33 (1)
Stoich.:	A3B4C28D33 (1)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	-104.18
Dipole, Da:	4.06
IP(EA), eV:	-8.61(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCNC(=O)CN(C)C(C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations