Geometry & MOs

Info

ID:	53945
PubChem CID:	14718434
Reduced:	ClNO4C6H16 (1)
Stoich.:	ABC4D6E16 (1)
Weight, g/mol:	201.083493
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	15.92
IP(EA), eV:	-11.8(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC[NH+](CC)CC.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations