Geometry & MOs

Info

ID:	21157
PubChem CID:	587361
Reduced:	ClO3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	300.055322
ΔH_f, kcal/mol:	-65.9
Dipole, Da:	4.73
IP(EA), eV:	-9.59(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylphenyl)-3-oxoprop-1-enyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations