Geometry & MOs

Info

ID:	46091
PubChem CID:	10521447
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	20.95
Dipole, Da:	3.96
IP(EA), eV:	-8.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(Z)-1-hydroxy-3-oxo-4-phenylbut-1-enyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C2=CC3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations