Geometry & MOs

Info

ID:	433590
PubChem CID:	135173730
Reduced:	BrClON4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	414.10552
ΔH_f, kcal/mol:	48.32
Dipole, Da:	4.66
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[8-(3-bromo-2-propylanilino)-1,7-naphthyridin-3-yl]methylamino]ethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)NC2=NC=CC3C2N=CC(=C3)CNCCO

DOS

IR

Vibrations