Geometry & MOs

Info

ID:	176208
PubChem CID:	76010645
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	353.292994
ΔH_f, kcal/mol:	119.19
Dipole, Da:	11.35
IP(EA), eV:	-9.08(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxypropan-2-yl)-9-oxooctadec-10-enamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C3C4=C(C=CC(=C4)NC(=O)CN(C)C)N=N3)C=C2C=C1

DOS

IR

Vibrations