Geometry & MOs

Info

ID:	325947
PubChem CID:	126685727
Reduced:	O7C16H20 (1)
Stoich.:	A7B16C20 (1)
Weight, g/mol:	475.02329
ΔH_f, kcal/mol:	-274.1
Dipole, Da:	5.51
IP(EA), eV:	-9.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-iodopropyl)-N-(3-iodoprop-2-ynyl)-3,5-dimethylheptan-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC(C=C(O1)C(=O)O)C2=CC(C(C=C2)O)C)O

DOS

IR

Vibrations