Geometry & MOs

Info

ID:	312073
PubChem CID:	126602387
Reduced:	Cl2N3O6C32H49 (1)
Stoich.:	A2B3C6D32E49 (1)
Weight, g/mol:	258.205576
ΔH_f, kcal/mol:	-311.91
Dipole, Da:	5.58
IP(EA), eV:	-8.63(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxaldehyde;1,4,8,11-tetrazacyclotetradecane

Drug info:

PubChemData

Smile

CC(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)C.CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O

DOS

IR

Vibrations