Geometry & MOs

Info

ID:

442371

PubChem CID:

135251635

Reduced:

N2H50C67 (1)

Stoich.:

A2B50C67 (1)

Weight, g/mol:

363.179421

ΔHf, kcal/mol:

249.35

Dipole, Da:

0.8

IP(EA), eV:

 -7.99(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]pyrrolo[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=C5C7=CC=CC=C7C68C9=C(C1=CC=CC=C81)C(=CC=C9)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations