Geometry & MOs

Info

ID:	88843
PubChem CID:	49957243
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	349.167794
ΔH_f, kcal/mol:	-56.48
Dipole, Da:	5.8
IP(EA), eV:	-9.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C(/C(=O)N(CCC(=O)N)CC2=CC=CC=C2)\NC(=O)C

DOS

IR

Vibrations