Geometry & MOs

Info

ID:	354980
PubChem CID:	127287841
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-89.6
Dipole, Da:	5.14
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(2,2-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

DOS

IR

Vibrations