Geometry & MOs

Info

ID:	435118
PubChem CID:	135181034
Reduced:	Cl2O3N5C26H27 (1)
Stoich.:	A2B3C5D26E27 (1)
Weight, g/mol:	433.136861
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	3.37
IP(EA), eV:	-8.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-1-(3,3-difluoropyrrolidin-1-yl)-7-methyl-2,6-naphthyridine

Drug info:

PubChemData

Smile

C[C@H]1COC[C@H]1NC2=CC3=C(N=C(C=C3C=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl)N5CCC(C5)C#N

DOS

IR

Vibrations