Geometry & MOs

Info

ID:	357498
PubChem CID:	127294131
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-160.43
Dipole, Da:	4.16
IP(EA), eV:	-8.18(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5)OC1

DOS

IR

Vibrations