Geometry & MOs

Info

ID:	357509
PubChem CID:	127294142
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	3.86
IP(EA), eV:	-8.43(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4)C5=NC=CN5

DOS

IR

Vibrations