Geometry & MOs

Info

ID:

315002

PubChem CID:

126624156

Reduced:

N3C20H21 (1)

Stoich.:

A3B20C21 (1)

Weight, g/mol:

556.308327

ΔHf, kcal/mol:

106.57

Dipole, Da:

4.21

IP(EA), eV:

 -9.16(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[ethyl-[4-[3-(2-methoxyethoxy)azetidin-1-yl]cyclohexyl]amino]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC=NN1C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations