Geometry & MOs

Info

ID:	315061
PubChem CID:	126624308
Reduced:	ClC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	301.18305
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	0.0
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethyl)-3-azatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene

Drug info:

PubChemData

Smile

C/C(=C\C=C(\CCl)/C)/CCl

DOS

IR

Vibrations