Geometry & MOs

Info

ID:	70931
PubChem CID:	48414062
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	0.84
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations