Geometry & MOs

Info

ID:

325370

PubChem CID:

126682951

Reduced:

NH13C20 (2)

Stoich.:

AB13C20 (2)

Weight, g/mol:

587.1631

ΔHf, kcal/mol:

174.67

Dipole, Da:

1.8

IP(EA), eV:

 -7.77(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[7-bromo-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2,4-dimethyl-1,3-benzodioxol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC=C4N(C5=CC=CC=C53)C6=CC=CC(=C6)N7C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations