Geometry & MOs

Info

ID:	337979
PubChem CID:	127258602
Reduced:	ClO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	360.149222
ΔH_f, kcal/mol:	-109.58
Dipole, Da:	2.98
IP(EA), eV:	-8.82(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-chlorophenyl)methyl]-2-methylphenoxy]propyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)OC1=C(C=C(C=C1)CC2=CC=C(C=C2)Cl)CC=C

DOS

IR

Vibrations