Geometry & MOs

Info

ID:	357469
PubChem CID:	127294102
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-195.16
Dipole, Da:	0.81
IP(EA), eV:	-8.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylpyrimidin-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations