Geometry & MOs

Info

ID:	184375
PubChem CID:	77153057
Reduced:	ClN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	145.078447
ΔH_f, kcal/mol:	-132.41
Dipole, Da:	1.29
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CNCC(C2=CC=CC=C21)CCl.C1C(NC(=O)NC1=O)C(=O)O

DOS

IR

Vibrations