Geometry & MOs

Info

ID:	138021
PubChem CID:	52301179
Reduced:	N3O4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-197.45
Dipole, Da:	6.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756645
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1CC(=O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations