Geometry & MOs

Info

ID:	312214
PubChem CID:	126603608
Reduced:	O2N3F6H17C23 (1)
Stoich.:	A2B3C6D17E23 (1)
Weight, g/mol:	393.227709
ΔH_f, kcal/mol:	-299.57
Dipole, Da:	1.66
IP(EA), eV:	-8.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-6-(3-piperazin-1-ylphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2CC3=CC=C(C=C3)C(F)(F)F)NC(C4=CC=CC=C4OC(F)(F)F)O

DOS

IR

Vibrations