Geometry & MOs

Info

ID:

419489

PubChem CID:

135108272

Reduced:

N3C11H14 (2)

Stoich.:

A3B11C14 (2)

Weight, g/mol:

673.395168

ΔHf, kcal/mol:

76.67

Dipole, Da:

3.82

IP(EA), eV:

 -8.58(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCCC4(C3)CCC5=CN=C(N=C45)N(C)C

DOS

IR

Vibrations