Geometry & MOs

Info

ID:	302936
PubChem CID:	124403719
Reduced:	N3O4C30H31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	387.138992
ΔH_f, kcal/mol:	-36.19
Dipole, Da:	7.67
IP(EA), eV:	-8.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC=C(C=C1)OC)/C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@H]3C=CC4)C5=C(C(=CC=C5)OC)OC

DOS

IR

Vibrations