Geometry & MOs

Info

ID:

328815

PubChem CID:

126728109

Reduced:

N2H21C30 (2)

Stoich.:

A2B21C30 (2)

Weight, g/mol:

269.068808

ΔHf, kcal/mol:

313.02

Dipole, Da:

4.69

IP(EA), eV:

 -8.02(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-cyclopropyl-6-(2-methylpyridin-4-yl)cyclohex-5-ene-1,2,3,4-tetrone

Drug info:

PubChemData

Smile

CC(=NC(=NC(=C=C)C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations