Geometry & MOs

Info

ID:

178261

PubChem CID:

76306414

Reduced:

O2N3C13H19 (2)

Stoich.:

A2B3C13D19 (2)

Weight, g/mol:

484.214427

ΔHf, kcal/mol:

-154.51

Dipole, Da:

6.38

IP(EA), eV:

 -8.42(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxyethyl 2-[[4-(1H-indol-2-yl)piperidin-1-yl]methyl]-5-methyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CCOC)C(=O)CN2CCC(CC2)C3=CC4=CC=CC=C4N3)N

DOS

IR

Vibrations