Geometry & MOs

Info

ID:	304273
PubChem CID:	124500460
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-130.84
Dipole, Da:	1.08
IP(EA), eV:	-9.38(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(1S)-1-ethoxyethyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=C(C=C1)CC(=O)OC)OC

DOS

IR

Vibrations