Geometry & MOs

Info

ID:	411372
PubChem CID:	135084195
Reduced:	ClO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	1.57
IP(EA), eV:	-9.14(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(4-hydroxybutyl)oxiran-2-yl]propanoate

Drug info:

PubChemData

Smile

C1CCOC(C1)OCC2=CC=CC=C2C#CCl

DOS

IR

Vibrations