Geometry & MOs

Info

ID:

431742

PubChem CID:

135171846

Reduced:

ClPF2N5O7C39H39 (1)

Stoich.:

ABC2D5E7F39G39 (1)

Weight, g/mol:

389.187005

ΔHf, kcal/mol:

-332.19

Dipole, Da:

4.49

IP(EA), eV:

 -9.02(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-(6-chloropyridin-3-yl)-4-methoxy-1-N-(2-methylpropyl)-1-N-(oxan-4-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)N3C[C@@H](CC3C(=O)NC4=CC=CC(=C4F)C5=CC=CC=C5Cl)F)C6=CN=C(N=C6)C)OCC

DOS

IR

Vibrations