Geometry & MOs

Info

ID:	192279
PubChem CID:	78252297
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	420.188744
ΔH_f, kcal/mol:	-121.92
Dipole, Da:	7.7
IP(EA), eV:	-8.8(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-6-propan-2-yl-4,5,6,7-tetrahydropyrano[3,2-c]pyridin-6-ium-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(S1)N2C(C3=C(C2=O)OC4CCCCC4C3=O)C5=CC(=C(C=C5)O)OC

DOS

IR

Vibrations