Geometry & MOs

Info

ID:	78707
PubChem CID:	49703849
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	455.08445
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	9.68
IP(EA), eV:	-8.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NC3=CC=CC=C3OCC

DOS

IR

Vibrations