Geometry & MOs

Info

ID:	181975
PubChem CID:	76822433
Reduced:	NF2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	338.128487
ΔH_f, kcal/mol:	-208.29
Dipole, Da:	1.72
IP(EA), eV:	-9.22(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-chloro-2-[1-(oxiran-2-ylmethoxy)butyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2CC(CN2C(=O)OC(C)(C)C)F)F

DOS

IR

Vibrations