Geometry & MOs

Info

ID:	439132
PubChem CID:	135228897
Reduced:	ON7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	301.27695
ΔH_f, kcal/mol:	116.61
Dipole, Da:	6.15
IP(EA), eV:	-8.87(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4E,6E)-4-[(1Z)-buta-1,3-dienyl]-3,5,6-trimethylocta-4,6-dienyl]-1-methylpiperidine

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)N=O)C5=NC=CC(=N5)N

DOS

IR

Vibrations