Geometry & MOs

Info

ID:	146879
PubChem CID:	53765051
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	221.21435
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	1.43
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,7-dimethylocta-2,6-dienyl)piperidine

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)C(=O)N)N(C[C@@H](C2=CC=CC=C2)O)C[C@@H](C3=CC=CC=C3)O

DOS

IR

Vibrations