Geometry & MOs

Info

ID:	78680
PubChem CID:	49703734
Reduced:	FO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	396.123383
ΔH_f, kcal/mol:	-63.2
Dipole, Da:	5.04
IP(EA), eV:	-7.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-6-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations