Geometry & MOs

Info

ID:

378645

PubChem CID:

134224739

Reduced:

BrNH30C38 (1)

Stoich.:

ABC30D38 (1)

Weight, g/mol:

440.32636

ΔHf, kcal/mol:

127.99

Dipole, Da:

3.2

IP(EA), eV:

 -8.1(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[5-methyl-5-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)hexan-2-yl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C(C2=C(C=CC(=C2)N(C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C6=C1C=C(C=C6)Br)CCC7=CC=CC=C7

DOS

IR

Vibrations