Geometry & MOs

Info

ID:	35916
PubChem CID:	7980486
Reduced:	ClN2O6H15C20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-184.97
Dipole, Da:	6.21
IP(EA), eV:	-10.09(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC)OC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations