Geometry & MOs

Info

ID:	126636
PubChem CID:	50971060
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	2.61
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC(=O)NCCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations