Geometry & MOs

Info

ID:	236491
PubChem CID:	92713454
Reduced:	ClN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	468.20605
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	8.73
IP(EA), eV:	-8.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(R)-(3-fluorophenyl)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxopyridin-3-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CC2=CC=CO2)[C@@H](C3=CC(=CC=C3)Cl)N4CCCCC4)O

DOS

IR

Vibrations