Geometry & MOs

Info

ID:	410821
PubChem CID:	135083622
Reduced:	NOSiC12H27 (1)
Stoich.:	ABCD12E27 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-113.31
Dipole, Da:	1.64
IP(EA), eV:	-8.22(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methoxy-2-[(E)-3-oxoprop-1-enyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC/C=C(/N(C)C)\O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations