Geometry & MOs

Info

ID:

447475

PubChem CID:

135283162

Reduced:

O5N6C30H34 (1)

Stoich.:

A5B6C30D34 (1)

Weight, g/mol:

516.212118

ΔHf, kcal/mol:

-139.34

Dipole, Da:

4.98

IP(EA), eV:

 -8.4(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-amino-1-[[4-[[2-(2-methylprop-2-enoylamino)ethoxycarbonylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations