Geometry & MOs

Info

ID:	178977
PubChem CID:	76411909
Reduced:	F2N3O8C22H23 (1)
Stoich.:	A2B3C8D22E23 (1)
Weight, g/mol:	332.156301
ΔH_f, kcal/mol:	-334.07
Dipole, Da:	9.14
IP(EA), eV:	-9.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-fluorophenyl)-pyridin-4-yl-(1,2,3,4-tetrahydroisoquinolin-3-ylmethylidene)azanium

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=C(C=C(C=C2F)N3CC(OC3=O)COC4=NOC=C4)F)C(=O)OCC(CO)O

DOS

IR

Vibrations