Geometry & MOs

Info

ID:	441675
PubChem CID:	135239971
Reduced:	NO3C22H41 (1)
Stoich.:	AB3C22D41 (1)
Weight, g/mol:	339.277344
ΔH_f, kcal/mol:	-201.29
Dipole, Da:	1.79
IP(EA), eV:	-9.55(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(Z)-hexadec-4-enoyl]amino]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCC/C=C\CCCCCC(=O)NCC(=O)OCC

DOS

IR

Vibrations