Geometry & MOs

Info

ID:	425584
PubChem CID:	135126802
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	808.8333
ΔH_f, kcal/mol:	-193.53
Dipole, Da:	5.17
IP(EA), eV:	-9.18(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2,3-diiodo-1-[1-[iodo(2-iodoethyl)amino]propylamino]butyl]-1,2,3,4-tetrahydroquinolin-8-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC=C(C(=O)OC)C(=O)OC)CO

DOS

IR

Vibrations