Geometry & MOs

Info

ID:	227632
PubChem CID:	87562131
Reduced:	ClN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	1.77
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC(=C1)Cl)N2CCN(CC2)CCO

DOS

IR

Vibrations