Geometry & MOs

Info

ID:	299223
PubChem CID:	117682196
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	411.371244
ΔH_f, kcal/mol:	37.72
Dipole, Da:	1.21
IP(EA), eV:	-8.11(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S,3R)-1,3-dihydroxynon-4-en-2-yl]hexadecanamide

Drug info:

PubChemData

Smile

CCCN1C=CC2=C1C=CC(=C2)CN=C(C)N

DOS

IR

Vibrations