Geometry & MOs

Info

ID:	417541
PubChem CID:	135100425
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	2.6
IP(EA), eV:	-8.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-5-phenylpentane-1,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations