Geometry & MOs

Info

ID:	142068
PubChem CID:	52975652
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	0.01
Dipole, Da:	2.68
IP(EA), eV:	-8.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-naphthalen-2-yloxyethyl)-2-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=C2)NC(=O)C3CC(NN3)C4=CC=CC=C4

DOS

IR

Vibrations