Geometry & MOs

Info

ID:	427618
PubChem CID:	135160702
Reduced:	BrNPF4H5C13 (1)
Stoich.:	ABCD4E5F13 (1)
Weight, g/mol:	470.264154
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	3.0
IP(EA), eV:	-9.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxy-N-[5-(methylamino)-6-[1-(1-methylpyrazol-4-yl)ethylideneamino]-2,3-dihydropyridin-2-yl]anilino)-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C2=C(C(=C(C(=C2F)F)P)F)F)Br)C#N

DOS

IR

Vibrations