Geometry & MOs

Info

ID:	192151
PubChem CID:	78233518
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	416.172305
ΔH_f, kcal/mol:	-15.32
Dipole, Da:	4.99
IP(EA), eV:	-9.24(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C=C1C=CC2=NC(=O)C(=CC2=C1)CN(C3CC3)C(=O)N4CCOCC4

DOS

IR

Vibrations