Geometry & MOs

Info

ID:	427080
PubChem CID:	135155390
Reduced:	NOC6H8 (4)
Stoich.:	ABC6D8 (4)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	10.89
IP(EA), eV:	-8.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1-methoxypropan-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,6]naphthyridin-1-amine

Drug info:

PubChemData

Smile

CC(COC)C1=C(C=CC2=NC3=C(C=C21)C(=NC=C3)N)OCCCN4CCCC4.C(=O)O

DOS

IR

Vibrations