Geometry & MOs

Info

ID:	305476
PubChem CID:	124955998
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	-16.08
Dipole, Da:	6.4
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)[C@H]2CN(CCO2)C(=O)C3=CC(=NC=C3)N4CCCC4

DOS

IR

Vibrations