Geometry & MOs

Info

ID:	418633
PubChem CID:	135106476
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	3.73
IP(EA), eV:	-9.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations