Geometry & MOs

Info

ID:	129609
PubChem CID:	51073264
Reduced:	FOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	3.48
IP(EA), eV:	-9.91(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzofuran-2-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NC(C)C2=CC(=CC=C2)F

DOS

IR

Vibrations