Geometry & MOs

Info

ID:	88840
PubChem CID:	49957230
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	374.058883
ΔH_f, kcal/mol:	-83.38
Dipole, Da:	6.69
IP(EA), eV:	-9.03(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-6-methyl-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N

DOS

IR

Vibrations