Geometry & MOs

Info

ID:	21034
PubChem CID:	586889
Reduced:	ClO2C23H37 (1)
Stoich.:	AB2C23D37 (1)
Weight, g/mol:	380.248208
ΔH_f, kcal/mol:	-147.98
Dipole, Da:	2.24
IP(EA), eV:	-9.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecan-4-yl 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations