Geometry & MOs

Info

ID:	192152
PubChem CID:	78233771
Reduced:	N2O3F4C20H24 (1)
Stoich.:	A2B3C4D20E24 (1)
Weight, g/mol:	417.218305
ΔH_f, kcal/mol:	-329.5
Dipole, Da:	8.16
IP(EA), eV:	-9.67(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1CCC2C(C1)CC(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=O)C(F)(F)F

DOS

IR

Vibrations