Geometry & MOs

Info

ID:

219263

PubChem CID:

85098285

Reduced:

N7O10C30H41 (1)

Stoich.:

A7B10C30D41 (1)

Weight, g/mol:

664.384937

ΔHf, kcal/mol:

-403.09

Dipole, Da:

4.61

IP(EA), eV:

 -9.32(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)-N-[1-oxo-1-(4-piperazin-1-ylpiperidin-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(=O)O)C=O

DOS

IR

Vibrations