Geometry & MOs

Info

ID:

309905

PubChem CID:

126566405

Reduced:

N3H45C58 (1)

Stoich.:

A3B45C58 (1)

Weight, g/mol:

318.02152

ΔHf, kcal/mol:

234.24

Dipole, Da:

1.39

IP(EA), eV:

 -7.76(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(5-bromo-3-methylpyridin-2-yl)-2-hydroxyethyl]-(2-hydroxyethyl)carbamic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(C=C2)C4=CC=CC=C4N3C5=CC=C(C=C5)C6=CC=CC=C6)N(C7=C1C=C(C=C7)C8=CC=CC=C8N(C)C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations