Geometry & MOs

Info

ID:	146335
PubChem CID:	53671787
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-152.03
Dipole, Da:	2.39
IP(EA), eV:	-9.7(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2(CCCC(C2([C@@H]3[C@]1(O3)C)C)(C)C)C

DOS

IR

Vibrations