Geometry & MOs

Info

ID:	357420
PubChem CID:	127294053
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-158.41
Dipole, Da:	2.99
IP(EA), eV:	-8.47(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations