Geometry & MOs

Info

ID:

190730

PubChem CID:

78049482

Reduced:

NO2C10H12 (2)

Stoich.:

AB2C10D12 (2)

Weight, g/mol:

431.161184

ΔHf, kcal/mol:

-121.27

Dipole, Da:

8.46

IP(EA), eV:

 -8.6(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(ethylaminomethyl)-8,14-dimethyl-4,6-dioxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),12,15,17-pentaene-5-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CCC1=CC(C(=O)N=C1C2=CC=C(C=C2)N3CCCC3COC)C(=O)O

DOS

IR

Vibrations