Geometry & MOs

Info

ID:	130880
PubChem CID:	51120445
Reduced:	NSO3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	4.29
IP(EA), eV:	-8.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxyphenyl)methyl]-N-methyl-4-oxo-3-propylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1O)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

DOS

IR

Vibrations