Geometry & MOs

Info

ID:	175105
PubChem CID:	75856172
Reduced:	O2S2N5H19C23 (1)
Stoich.:	A2B2C5D19E23 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	108.89
Dipole, Da:	9.73
IP(EA), eV:	-9.09(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC(=CC=C2)NC(=O)C(=CC3=CC=CO3)N4C(=NN=N4)C5=CC=CC=C5

DOS

IR

Vibrations