Geometry & MOs

Info

ID:	16265
PubChem CID:	463100
Reduced:	ClON3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	395.17644
ΔH_f, kcal/mol:	17.7
Dipole, Da:	0.51
IP(EA), eV:	-8.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl]-2-(1-methylazocan-4-yl)phthalazin-1-one

Drug info:

PubChemData

Smile

CN1CCCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations