Geometry & MOs

Info

ID:	10610
PubChem CID:	105658
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-130.72
Dipole, Da:	4.54
IP(EA), eV:	-9.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-methoxycarbonylphenyl)-4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)OC)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations