Geometry & MOs

Info

ID:	343027
PubChem CID:	127266190
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-142.37
Dipole, Da:	5.23
IP(EA), eV:	-9.33(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-(4-hydroxybutylamino)-3-oxoprop-1-ynyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC(=O)C2=CC=CC=C12)C(=O)N3CCC(CC3)C4CCOC4

DOS

IR

Vibrations