Geometry & MOs

Info

ID:	245623
PubChem CID:	99455632
Reduced:	N3O4C25H39 (1)
Stoich.:	A3B4C25D39 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-178.63
Dipole, Da:	6.71
IP(EA), eV:	-8.47(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C(=O)COC2=CC=C(C=C2)C(=O)NC[C@@H](C)N3C[C@H](O[C@H](C3)C)C)C

DOS

IR

Vibrations