Geometry & MOs

Info

ID:

393305

PubChem CID:

135020051

Reduced:

NH12C13 (2)

Stoich.:

AB12C13 (2)

Weight, g/mol:

631.217932

ΔHf, kcal/mol:

84.11

Dipole, Da:

3.19

IP(EA), eV:

 -7.4(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1'-[(4-methoxyphenyl)methyl]-5-[(2Z)-2-[1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]hydrazinyl]-4-nitrospiro[1,2-dihydropyrazole-3,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C3=C(C=C2)C(=CC(N3)C4=CC=CC=C4)C5=CC=CC=C5)C)C

DOS

IR

Vibrations