Geometry & MOs

Info

ID:	414333
PubChem CID:	135087289
Reduced:	ClON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	5.77
IP(EA), eV:	-8.54(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-oxobutyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)N2CCC(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations