Geometry & MOs

Info

ID:	357427
PubChem CID:	127294060
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-109.32
Dipole, Da:	4.96
IP(EA), eV:	-8.43(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations