Geometry & MOs

Info

ID:	146009
PubChem CID:	53624070
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-7.19
Dipole, Da:	5.1
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-4-yl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C3=CC=C(C=C3)CNC(=O)NC4=CC=CC=N4

DOS

IR

Vibrations