Geometry & MOs

Info

ID:	146495
PubChem CID:	53697944
Reduced:	SN4O9H25C26 (1)
Stoich.:	AB4C9D25E26 (1)
Weight, g/mol:	157.146664
ΔH_f, kcal/mol:	-136.99
Dipole, Da:	5.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.021331
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethoxyethyl)piperidine

Drug info:

PubChemData

Smile

CCC([C@@H]1[C@H]2N(C1=O)C(=C(O)OCC3=CC=CC=C3)C(=C([S@@]2=O)[N+]#N)C)OC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations