Geometry & MOs

Info

ID:	46264
PubChem CID:	10523587
Reduced:	O3C25H28 (1)
Stoich.:	A3B25C28 (1)
Weight, g/mol:	376.272593
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	2.98
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-3-oxo-3-piperidin-1-ylpropyl)-2,6-ditert-butyl-4-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=CC=C3)/C(=C/C(=O)OCC)/C

DOS

IR

Vibrations