Geometry & MOs

Info

ID:	120792
PubChem CID:	50744788
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	4.8
IP(EA), eV:	-8.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCC2=CC=CC=C21)N3C(=O)C=CC(=N3)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations