Geometry & MOs

Info

ID:	29598
PubChem CID:	835690
Reduced:	ClNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-37.75
Dipole, Da:	3.59
IP(EA), eV:	-9.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl) 3-methylbenzoate

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations