Geometry & MOs

Info

ID:

184443

PubChem CID:

77161422

Reduced:

N5O12C42H55 (1)

Stoich.:

A5B12C42D55 (1)

Weight, g/mol:

428.184841

ΔHf, kcal/mol:

-506.33

Dipole, Da:

7.64

IP(EA), eV:

 -9.16(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1'-acetylspiro[piperidine-4,4'-quinoline]-7'-yl)-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC(=O)NC1=CC(=C2CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C)C(=O)OCOC(=O)C56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations