Geometry & MOs

Info

ID:	233364
PubChem CID:	89853744
Reduced:	NO3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	389.094934
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	2.57
IP(EA), eV:	-8.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3aS,4R,9bR)-8-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-4-yl]-3,5-dichlorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OC)[C@@H]2[C@H]3CCCO[C@H]3C4=C(N2)C=CC(=C4)C(C)(C)C

DOS

IR

Vibrations