Geometry & MOs

Info

ID:	35509
PubChem CID:	7979964
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	2.72
IP(EA), eV:	-9.35(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-[(2R)-2-phenylpentanoyl]phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

DOS

IR

Vibrations