Geometry & MOs

Info

ID:	29743
PubChem CID:	836844
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-133.09
Dipole, Da:	3.17
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl) cyclohexanecarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations