Geometry & MOs

Info

ID:	302937
PubChem CID:	124403726
Reduced:	ClNOH22C25 (1)
Stoich.:	ABCD22E25 (1)
Weight, g/mol:	398.163043
ΔH_f, kcal/mol:	38.34
Dipole, Da:	3.09
IP(EA), eV:	-8.25(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,9bR)-4-[4-[(4-nitrophenyl)methoxy]phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

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)Cl

DOS

IR

Vibrations