Geometry & MOs

Info

ID:	180831
PubChem CID:	76692320
Reduced:	N2O2H14C19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	371.282429
ΔH_f, kcal/mol:	99.09
Dipole, Da:	6.87
IP(EA), eV:	-9.07(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC3=C(C=C2)C4C=CC=NC4=NC3=O

DOS

IR

Vibrations