Geometry & MOs

Info

ID:	187831
PubChem CID:	77632624
Reduced:	O9C15H16 (1)
Stoich.:	A9B15C16 (1)
Weight, g/mol:	488.253589
ΔH_f, kcal/mol:	-333.82
Dipole, Da:	1.87
IP(EA), eV:	-9.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)pyridin-3-yl]oxy-1-N-cyclopentylpropane-1,2-diamine

Drug info:

PubChemData

Smile

C1C2C=CC1C(C2C(=O)O)C(=O)OC(CC3C(=C(C(=O)O3)O)O)O

DOS

IR

Vibrations