Geometry & MOs

Info

ID:	296929
PubChem CID:	117601438
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	411.194677
ΔH_f, kcal/mol:	55.51
Dipole, Da:	11.18
IP(EA), eV:	-9.3(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(4-ethylphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(C1)CNC(=O)C2=CN=C(C=C2)N3C(=O)C(=CN3)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations