Geometry & MOs

Info

ID:	335787
PubChem CID:	127254649
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	-52.27
Dipole, Da:	6.65
IP(EA), eV:	-8.05(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methyl]phthalazin-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CCCC3NC(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations