Geometry & MOs

Info

ID:	180044
PubChem CID:	76569850
Reduced:	LiNaS2N3O7H15C18 (1)
Stoich.:	ABC2D3E7F15G18 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-189.45
Dipole, Da:	40.8
IP(EA), eV:	-8.16(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[amino(3-phenylprop-2-enyl)amino]-N-pyridin-4-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

[Li+].CC1=CC(=C(C=C1N=NC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+]

DOS

IR

Vibrations