Geometry & MOs

Info

ID:	23734
PubChem CID:	605724
Reduced:	ClO2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	284.060407
ΔH_f, kcal/mol:	-40.68
Dipole, Da:	3.02
IP(EA), eV:	-8.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenanthren-9-ylmethyl 2-chloroacetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)COC(=O)CCl

DOS

IR

Vibrations