Geometry & MOs

Info

ID:	379288
PubChem CID:	134357070
Reduced:	F3O3N5C22H26 (1)
Stoich.:	A3B3C5D22E26 (1)
Weight, g/mol:	373.155018
ΔH_f, kcal/mol:	-218.75
Dipole, Da:	3.49
IP(EA), eV:	-8.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1E,3Z)-1,4-diamino-4-(6-fluoropyridin-3-yl)buta-1,3-dienyl]-2-(5,6-diformyl-3,4-dihydro-2H-pyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(CCCN1CC(=O)N/C(=C/C=C(/C2=CC(=CC=C2)C(F)(F)F)\N)/N)C=O

DOS

IR

Vibrations