Geometry & MOs

Info

ID:	433612
PubChem CID:	135173752
Reduced:	O3C19H24 (1)
Stoich.:	A3B19C24 (1)
Weight, g/mol:	532.275073
ΔH_f, kcal/mol:	-88.38
Dipole, Da:	3.82
IP(EA), eV:	-8.51(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-[3-[3-[1-(5-butan-2-ylpyridin-2-yl)ethenylamino]-2-fluorophenyl]-2-methylphenyl]-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

COCCCOCCCOC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations