Geometry & MOs

Info

ID:	191014
PubChem CID:	78093928
Reduced:	O3N4C30H58 (1)
Stoich.:	A3B4C30D58 (1)
Weight, g/mol:	528.403942
ΔH_f, kcal/mol:	-203.62
Dipole, Da:	6.94
IP(EA), eV:	-8.76(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyheptyl)-5-methyl-1-[4-(5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl)butyl]-1,5-diazocan-2-one

Drug info:

PubChemData

Smile

CCCCCC1CC(=O)N(CCCN1C)CCCCN2CCCN(C(CC2=O)CC(CCCCC)O)C

DOS

IR

Vibrations