Geometry & MOs

Info

ID:	330116
PubChem CID:	127247103
Reduced:	N3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	72.38
Dipole, Da:	5.34
IP(EA), eV:	-8.71(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=CC(=N2)CN3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations