Geometry & MOs

Info

ID:	135863
PubChem CID:	51951361
Reduced:	F3N3O3C17H20 (1)
Stoich.:	A3B3C3D17E20 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	-288.46
Dipole, Da:	4.42
IP(EA), eV:	-10.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC(C)(C)C)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations