Geometry & MOs

Info

ID:	418619
PubChem CID:	135106312
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	7.77
IP(EA), eV:	-8.68(-0.22)
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-(pyridine-2-carbonyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCC(=O)N2CCCC2)C(=O)N

DOS

IR

Vibrations