Geometry & MOs

Info

ID:	435077
PubChem CID:	135179958
Reduced:	Cl2F2O2N3H17C18 (1)
Stoich.:	A2B2C2D3E17F18 (1)
Weight, g/mol:	538.135002
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	3.81
IP(EA), eV:	-8.66(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N-(3,3-difluorocyclopentyl)-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=CC(=C)C(=N)C(=N2)NC3CC(C3)(F)F)Cl)OC

DOS

IR

Vibrations