Geometry & MOs

Info

ID:	78647
PubChem CID:	49703409
Reduced:	F3N3O4H22C23 (1)
Stoich.:	A3B3C4D22E23 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	-238.58
Dipole, Da:	11.25
IP(EA), eV:	-9.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC1=CC=CC(=C1)C(F)(F)F)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations