Geometry & MOs

Info

ID:	314982
PubChem CID:	126624093
Reduced:	ClON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	528.313412
ΔH_f, kcal/mol:	-4.26
Dipole, Da:	5.88
IP(EA), eV:	-9.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-5-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCOC1=NC(=CC(=C1C#N)Cl)C

DOS

IR

Vibrations