Geometry & MOs

Info

ID:	516
PubChem CID:	2913
Reduced:	NC21H21 (1)
Stoich.:	AB21C21 (1)
Weight, g/mol:	287.1674
ΔH_f, kcal/mol:	63.08
Dipole, Da:	1.14
IP(EA), eV:	-8.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine

Drug info:

PubChemData

Smile

CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1

DOS

IR

Vibrations