Geometry & MOs

Info

ID:	351614
PubChem CID:	127280506
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-105.13
Dipole, Da:	5.94
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CCNC(=O)C3=CSC=C3

DOS

IR

Vibrations