Geometry & MOs

Info

ID:

447474

PubChem CID:

135283161

Reduced:

O2N3C15H18 (2)

Stoich.:

A2B3C15D18 (2)

Weight, g/mol:

558.259068

ΔHf, kcal/mol:

-94.16

Dipole, Da:

3.49

IP(EA), eV:

 -8.36(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[4-amino-1-[[4-[[2-(2-methylprop-2-enoylamino)ethoxycarbonylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=NC2=C(N1CC3=CC=C(C=C3)CNC(=O)OCCNCC(=C)C)C4=CC=CC=C4N=C2N

DOS

IR

Vibrations