Geometry & MOs

Info

ID:	72707
PubChem CID:	48416460
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	-160.01
Dipole, Da:	7.38
IP(EA), eV:	-8.71(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)N2CCCC(C2)N3CCNC3=O)OCCC

DOS

IR

Vibrations