Geometry & MOs

Info

ID:	78713
PubChem CID:	49703890
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	441.0688
ΔH_f, kcal/mol:	-51.82
Dipole, Da:	8.4
IP(EA), eV:	-8.52(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-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=C(C=C3)C

DOS

IR

Vibrations