Geometry & MOs

Info

ID:	10103
PubChem CID:	97433
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	3.07
IP(EA), eV:	-9.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-tert-butylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations