Geometry & MOs

Info

ID:	333601
PubChem CID:	127252153
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-49.27
Dipole, Da:	4.93
IP(EA), eV:	-9.32(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)CCOC)CC2=CC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations