Geometry & MOs

Info

ID:

164036

PubChem CID:

74381583

Reduced:

O14N17C50H75 (1)

Stoich.:

A14B17C50D75 (1)

Weight, g/mol:

424.11503

ΔHf, kcal/mol:

-594.76

Dipole, Da:

7.2

IP(EA), eV:

 -8.85(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(6-bromo-2-methoxyquinolin-3-yl)-N,N,3-trimethyl-4-phenylbut-3-en-1-amine

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations