Geometry & MOs

Info

ID:	41803
PubChem CID:	8147129
Reduced:	N4O6H14C17 (1)
Stoich.:	A4B6C14D17 (1)
Weight, g/mol:	389.150132
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	4.93
IP(EA), eV:	-9.03(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations