Geometry & MOs

Info

ID:	192477
PubChem CID:	78273885
Reduced:	ClN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-127.97
Dipole, Da:	2.92
IP(EA), eV:	-9.43(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dibenzylamino)-2-oxoethyl] 2-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)acetate

Drug info:

PubChemData

Smile

C=C1C(C(NC(=O)N1)C2=C(C=C(C=C2)O)O)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations