Geometry & MOs

Info

ID:	405286
PubChem CID:	135073342
Reduced:	O5C23H30 (1)
Stoich.:	A5B23C30 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-122.76
Dipole, Da:	3.55
IP(EA), eV:	-9.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-4-cyclopropylbut-3-enyl]-2-prop-2-enylpropanedioate

Drug info:

PubChemData

Smile

CC[C@@H](C1C[C@H]2[C@@H]([C@H]1C#CC(=O)OC)O2)OC(=O)CCCC/C=C\CC#CC

DOS

IR

Vibrations