Geometry & MOs

Info

ID:	421868
PubChem CID:	135116751
Reduced:	FN2O4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-201.87
Dipole, Da:	7.18
IP(EA), eV:	-9.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]methyl]-6-chloro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

COCCCN1CC2(CCN(CC2)C(=O)C3=CC(=CC=C3)F)OCCC1=O

DOS

IR

Vibrations