Geometry & MOs

Info

ID:	405630
PubChem CID:	135074736
Reduced:	O9C22H30 (1)
Stoich.:	A9B22C30 (1)
Weight, g/mol:	375.092972
ΔH_f, kcal/mol:	-364.62
Dipole, Da:	3.4
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [(E)-3-[6-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-benzodioxol-5-yl]prop-2-enyl] carbonate

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C=C\COC(=O)OC)(CC1=CC(=CC(=C1)OC)OC)C(=O)OCC

DOS

IR

Vibrations