Geometry & MOs

Info

ID:

314984

PubChem CID:

126624103

Reduced:

ON2H9C10 (2)

Stoich.:

AB2C9D10 (2)

Weight, g/mol:

558.323977

ΔHf, kcal/mol:

6.04

Dipole, Da:

2.97

IP(EA), eV:

 -8.78(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-2-[2-[(2-methoxy-4,6-dimethylpyridin-3-yl)methylamino]ethyl]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)NC(=O)N3CC4=CC=C(C=C4)OC

DOS

IR

Vibrations