Geometry & MOs

Info

ID:

316503

PubChem CID:

126631023

Reduced:

O3N5H45C80 (1)

Stoich.:

A3B5C45D80 (1)

Weight, g/mol:

380.246378

ΔHf, kcal/mol:

316.15

Dipole, Da:

2.85

IP(EA), eV:

 -8.14(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(E)-2-(2-ethylquinolin-7-yl)ethenyl]-4-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=NC6=C5C=C(C=C6)C7=CC(=CC=C7)N8C9=CC=CC=C9C1=C8C2=C(C=C1)C1=CC=CC=C1O2)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2O1)C1=C(C=C3)C2=CC=CC=C2O1

DOS

IR

Vibrations