Geometry & MOs

Info

ID:	148162
PubChem CID:	53787824
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	421.14051
ΔH_f, kcal/mol:	-14.16
Dipole, Da:	3.44
IP(EA), eV:	-8.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-cyclopentylpiperidine

Drug info:

PubChemData

Smile

CCC1=NC=C(C=C1)CCC2=CC=C(C=C2)OCC

DOS

IR

Vibrations