Geometry & MOs

Info

ID:	29746
PubChem CID:	836865
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-28.9
Dipole, Da:	3.51
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl) cyclopentanecarboxylate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations