Geometry & MOs

Info

ID:	773
PubChem CID:	3339
Reduced:	ClO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	360.112837
ΔH_f, kcal/mol:	-144.25
Dipole, Da:	6.78
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations