Geometry & MOs

Info

ID:

299483

PubChem CID:

117683331

Reduced:

O12C30H41 (2)

Stoich.:

A12B30C41 (2)

Weight, g/mol:

380.108482

ΔHf, kcal/mol:

-983.79

Dipole, Da:

4.43

IP(EA), eV:

 -8.99(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2,6-difluoro-4-(2-methoxypyridin-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CCC(C)(COCC(CC)(COCC(CC)(COCC(CC)(CO)OC(=O)C1=C(C=C(C=C1OC)OC)CO)OC(=O)C2=C(C=C(C=C2OC)OC)CO)OC(=O)C3=C(C=C(C=C3OC)OC)CO)OC(=O)C4=C(C=C(C=C4OC)OC)CO

DOS

IR

Vibrations