Geometry & MOs

Info

ID:	435079
PubChem CID:	135179999
Reduced:	FO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	3.35
IP(EA), eV:	-8.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)C2=NC(=C3C=C(N=CC3=C2)N)NCCO

DOS

IR

Vibrations