Geometry & MOs

Info

ID:	258291
PubChem CID:	103152670
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	216.220164
ΔH_f, kcal/mol:	-99.19
Dipole, Da:	9.67
IP(EA), eV:	-10.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-(5-methylhexyl)butane-1,4-diamine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C#CC1=CC=CC=C1

DOS

IR

Vibrations