Geometry & MOs

Info

ID:	45832
PubChem CID:	10518044
Reduced:	O5C16H24 (1)
Stoich.:	A5B16C24 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-209.51
Dipole, Da:	2.86
IP(EA), eV:	-8.63(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(4-methylbenzoyl)phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(C[C@H](C1=CC2=C(C=C1)OCO2)[C@H](C)O)OCC

DOS

IR

Vibrations