Geometry & MOs

Info

ID:	411606
PubChem CID:	135084438
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	2.27
IP(EA), eV:	-10.17(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-(3-hydroxypropyl)oxiran-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C[C@H]2[C@@H]1CCC[C@@]2(CC#C)O)C

DOS

IR

Vibrations