Geometry & MOs

Info

ID:

190176

PubChem CID:

77963163

Reduced:

O4N7C55H57 (1)

Stoich.:

A4B7C55D57 (1)

Weight, g/mol:

236.127326

ΔHf, kcal/mol:

-17.22

Dipole, Da:

3.71

IP(EA), eV:

 -8.52(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[2-(methylideneamino)ethenyl]-1-oxa-3,9-diazaspiro[5.5]undec-4-en-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(C2=CC=CCC2)C(=O)N3CCCC3C4=NC(=C(N4)C(=O)OCC5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CN=C(N8)C9CCCN9C(=O)CC1=CC=CC=C1

DOS

IR

Vibrations