Geometry & MOs

Info

ID:	68520
PubChem CID:	46508573
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	-16.16
Dipole, Da:	3.38
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC(=O)NCCC#N

DOS

IR

Vibrations