Geometry & MOs

Info

ID:	145501
PubChem CID:	53536498
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	408.196154
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	7.44
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C/C(=N/NC1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)NC(=O)C3

DOS

IR

Vibrations