Geometry & MOs

Info

ID:	61576
PubChem CID:	26710676
Reduced:	FON2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	424.102768
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	4.13
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-oxo-3-propylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32)F

DOS

IR

Vibrations