Geometry & MOs

Info

ID:	194983
PubChem CID:	78617153
Reduced:	F2N3O4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	425.255266
ΔH_f, kcal/mol:	-176.14
Dipole, Da:	2.99
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methoxyanilino)-N-[1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCC(=O)NN=CC2=CC(=C(C=C2)OC)OC(F)F

DOS

IR

Vibrations