Geometry & MOs

Info

ID:	340425
PubChem CID:	127262436
Reduced:	ClNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	2.31
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methylphenoxy)phenyl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)COC(=O)C2=CC=C(C=C2)N)C.Cl

DOS

IR

Vibrations