Geometry & MOs

Info

ID:

170941

PubChem CID:

75304069

Reduced:

NO2H5C6 (4)

Stoich.:

AB2C5D6 (4)

Weight, g/mol:

541.232519

ΔHf, kcal/mol:

-89.84

Dipole, Da:

13.72

IP(EA), eV:

 -9.84(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[8-[(3-methylpyridin-2-yl)methyl]-2,4-dioxo-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-1-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2[N+](=O)[O-])C=NOCC6CO6)O

DOS

IR

Vibrations