Geometry & MOs

Info

ID:	10896
PubChem CID:	108747
Reduced:	O2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-122.15
Dipole, Da:	2.71
IP(EA), eV:	-9.73(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methoxycarbonylphenyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations