Geometry & MOs

Info

ID:	309538
PubChem CID:	126547372
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	293.21435
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	1.83
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1E,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]phenyl]piperidine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2CCC(O2)[N+](=O)[O-]

DOS

IR

Vibrations