Geometry & MOs

Info

ID:	85841
PubChem CID:	49879681
Reduced:	N2S2O5H20C22 (1)
Stoich.:	A2B2C5D20E22 (1)
Weight, g/mol:	310.1111
ΔH_f, kcal/mol:	-168.09
Dipole, Da:	6.89
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@@H]3[C@H]4C[C@@H]([C@H]3SC5=C2SC(=O)N5)[C@@H]6[C@@H]4C(=O)N(C6=O)CC(=O)O

DOS

IR

Vibrations