Geometry & MOs

Info

ID:	2423
PubChem CID:	7455
Reduced:	O2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	150.06808
ΔH_f, kcal/mol:	-71.64
Dipole, Da:	2.93
IP(EA), eV:	-9.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations