Geometry & MOs

Info

ID:	69372
PubChem CID:	46530880
Reduced:	ClF3O4N5H15C18 (1)
Stoich.:	AB3C4D5E15F18 (1)
Weight, g/mol:	456.171689
ΔH_f, kcal/mol:	-190.14
Dipole, Da:	7.67
IP(EA), eV:	-8.26(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)C(F)(F)F

DOS

IR

Vibrations