Geometry & MOs

Info

ID:

315774

PubChem CID:

126628738

Reduced:

N2O10H27C42 (2)

Stoich.:

A2B10C27D42 (2)

Weight, g/mol:

197.120449

ΔHf, kcal/mol:

-538.2

Dipole, Da:

4.59

IP(EA), eV:

 -8.15(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-ethenyl-2-propylquinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3C(=O)O)C(=O)O)C(=O)NC4=CC(=C(C=C4)C5=C(C=C(C=C5)NC(=O)C6=C(C=C(C(=C6)C(=O)NC)C(=O)O)C(=O)O)C(=O)O)OC=O)C(=O)OCC7=CC8=CC=CC9=C8C1=C(C=CC=C71)C=C9)C(=O)OCC1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3

DOS

IR

Vibrations