Geometry & MOs

Info

ID:	161818
PubChem CID:	57392767
Reduced:	F2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	450.145868
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	6.51
IP(EA), eV:	-8.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1C2=CC(=C(C(=C2)F)OC)OC)C3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations