Geometry & MOs

Info

ID:	35498
PubChem CID:	7979952
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	1.84
IP(EA), eV:	-9.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-[(3S)-3-phenylbutanoyl]phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations