Geometry & MOs

Info

ID:	135864
PubChem CID:	51951460
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	-68.3
Dipole, Da:	1.3
IP(EA), eV:	-9.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](C3CCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations