Geometry & MOs

Info

ID:	60927
PubChem CID:	26703259
Reduced:	SN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	360.12224
ΔH_f, kcal/mol:	-22.91
Dipole, Da:	3.43
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxo-1-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)NN3C=NC4=C(C3=O)C(=C(S4)C)C

DOS

IR

Vibrations