Geometry & MOs

Info

ID:	184813
PubChem CID:	77212640
Reduced:	ClON3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	7.07
IP(EA), eV:	-9.34(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-methylphenyl)methylamino]ethyl]-6,7,8,8a-tetrahydro-5H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCCC2=C3CCCCC3C(=O)N=N2.Cl

DOS

IR

Vibrations