Geometry & MOs

Info

ID:	196888
PubChem CID:	78890505
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	415.150761
ΔH_f, kcal/mol:	-42.38
Dipole, Da:	4.7
IP(EA), eV:	-9.01(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-cyclopentyloxypyridin-3-yl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=CC(=C2)CNC(=O)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations