Geometry & MOs

Info

ID:	330100
PubChem CID:	127247087
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	56.5
Dipole, Da:	4.58
IP(EA), eV:	-9.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(C=N2)C(=O)N3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations