Geometry & MOs

Info

ID:	422763
PubChem CID:	135118366
Reduced:	OF2N2C21H30 (1)
Stoich.:	AB2C2D21E30 (1)
Weight, g/mol:	365.246713
ΔH_f, kcal/mol:	-133.97
Dipole, Da:	3.76
IP(EA), eV:	-8.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(cyclopropylmethyl)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C3CCN(CC3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations