Geometry & MOs

Info

ID:	368082
PubChem CID:	127327287
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-39.54
Dipole, Da:	4.71
IP(EA), eV:	-8.86(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations