Geometry & MOs

Info

ID:	337455
PubChem CID:	127257140
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	418.298414
ΔH_f, kcal/mol:	-3.29
Dipole, Da:	3.48
IP(EA), eV:	-9.28(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,7E,10E,13E,16E,19E)-N-(pyridin-3-ylmethyl)docosa-4,7,10,13,16,19-hexaenamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(CC2=CC=CC(=C2)C)C(=O)C3=NC=NC(=C3)C(=O)N

DOS

IR

Vibrations