Geometry & MOs

Info

ID:	217037
PubChem CID:	85087148
Reduced:	O6C17H26 (1)
Stoich.:	A6B17C26 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-280.76
Dipole, Da:	1.5
IP(EA), eV:	-10.06(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(4-methoxyphenyl)methoxy]phenyl]but-2-enoate

Drug info:

PubChemData

Smile

CC12CC(C3C(O1)(C(C2CC(=O)OC)O3)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations