Geometry & MOs

Info

ID:	435080
PubChem CID:	135180000
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	560.206944
ΔH_f, kcal/mol:	-48.41
Dipole, Da:	3.77
IP(EA), eV:	-7.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine

Drug info:

PubChemData

Smile

CN(C)CCNC1=C2C=C(N=CC2=CC(=N1)C3=CC(=CC(=C3)OC)OC)NC4CCOC4

DOS

IR

Vibrations