Geometry & MOs

Info

ID:	187689
PubChem CID:	77610835
Reduced:	BrSO4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	509.24269
ΔH_f, kcal/mol:	-130.82
Dipole, Da:	4.27
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(benzylamino)butoxy]pyridin-3-yl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine

Drug info:

PubChemData

Smile

COC(=O)CC(C1CC1)SC(CCC2=CC=CC=C2C(=O)OC)C3=CC(=CC=C3)Br

DOS

IR

Vibrations