Geometry & MOs

Info

ID:	128411
PubChem CID:	51043136
Reduced:	ON7H13C16 (1)
Stoich.:	AB7C13D16 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	115.96
Dipole, Da:	5.14
IP(EA), eV:	-8.97(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2)N4C=NN=N4

DOS

IR

Vibrations