Geometry & MOs

Info

ID:	423424
PubChem CID:	135119486
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	323.124547
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	3.63
IP(EA), eV:	-8.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]piperidin-2-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations