Geometry & MOs

Info

ID:	88771
PubChem CID:	49956665
Reduced:	NCl4H13C18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	331.193614
ΔH_f, kcal/mol:	26.11
Dipole, Da:	2.69
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone

Drug info:

PubChemData

Smile

C1C=CC2C1C(NC3=C2C(=C(C=C3Cl)Cl)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations