Geometry & MOs

Info

ID:	236704
PubChem CID:	92714508
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	-30.29
Dipole, Da:	3.28
IP(EA), eV:	-8.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations