Geometry & MOs

Info

ID:	336518
PubChem CID:	127255525
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-60.41
Dipole, Da:	1.69
IP(EA), eV:	-8.56(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methylphenyl)phenyl]methyl acetate

Drug info:

PubChemData

Smile

CCN1CCOC(C1C)C2=CC=CC=C2.Cl

DOS

IR

Vibrations