Geometry & MOs

Info

ID:	357478
PubChem CID:	127294111
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	2.55
IP(EA), eV:	-8.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)NC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations