Geometry & MOs

Info

ID:	337948
PubChem CID:	127258571
Reduced:	NO3C20H39 (1)
Stoich.:	AB3C20D39 (1)
Weight, g/mol:	459.371244
ΔH_f, kcal/mol:	-223.11
Dipole, Da:	2.43
IP(EA), eV:	-9.77(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzamidooctadecyl butanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCOC(=O)CCC)NC(=O)C

DOS

IR

Vibrations