Geometry & MOs

Info

ID:	217723
PubChem CID:	85088272
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-50.69
Dipole, Da:	3.06
IP(EA), eV:	-8.55(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-acetamidophenyl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)but-2-enamide

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CCCCCOC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations