Geometry & MOs

Info

ID:	302938
PubChem CID:	124403727
Reduced:	N2O3H22C25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	445.204179
ΔH_f, kcal/mol:	42.99
Dipole, Da:	6.0
IP(EA), eV:	-8.34(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,4R,9bR)-4-[4-(naphthalen-2-ylmethoxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone

Drug info:

PubChemData

Smile

C1C=C[C@@H]2[C@H]1[C@@H](NC3=CC=CC=C23)C4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations