Geometry & MOs

Info

ID:	392036
PubChem CID:	135012127
Reduced:	ClNO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	202.042129
ΔH_f, kcal/mol:	-141.03
Dipole, Da:	8.39
IP(EA), eV:	-9.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC#C/C=C\Cl)CC(=O)O

DOS

IR

Vibrations