Geometry & MOs

Info

ID:	421251
PubChem CID:	135115649
Reduced:	N2O3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	427.210721
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	1.4
IP(EA), eV:	-8.83(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations