Geometry & MOs

Info

ID:	338006
PubChem CID:	127258629
Reduced:	Cl2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	327.31373
ΔH_f, kcal/mol:	-172.61
Dipole, Da:	4.6
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-aminohexadecyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCCC(CC(C)C)OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations