Geometry & MOs

Info

ID:	187686
PubChem CID:	77610012
Reduced:	O2C37H70 (1)
Stoich.:	A2B37C70 (1)
Weight, g/mol:	487.183124
ΔH_f, kcal/mol:	-234.94
Dipole, Da:	0.77
IP(EA), eV:	-9.48(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-aminobutoxy)pyridin-3-yl]-9-methoxy-8-(2,2,2-trifluoroethoxy)benzo[f][2,7]naphthyridin-4-amine

Drug info:

PubChemData

Smile

CCC(C)OC(C)CC.CC(C)C(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)CCO

DOS

IR

Vibrations