Geometry & MOs

Info

ID:	218247
PubChem CID:	85089085
Reduced:	O9C22H34 (1)
Stoich.:	A9B22C34 (1)
Weight, g/mol:	442.178024
ΔH_f, kcal/mol:	-384.51
Dipole, Da:	5.34
IP(EA), eV:	-10.09(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(3-methylbut-2-enoxy)-2,2-diphenyl-1,3-benzodioxol-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1C2CC(=O)C1C3CC(C4(C3(C2O)C)CO4)OC5C(C(C(C(O5)CO)O)O)O

DOS

IR

Vibrations