Geometry & MOs

Info

ID:	78729
PubChem CID:	49703956
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	4.54
IP(EA), eV:	-8.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C=CC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations