Geometry & MOs

Info

ID:	362097
PubChem CID:	127305779
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-123.74
Dipole, Da:	4.6
IP(EA), eV:	-9.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)CN4CCCC4=O

DOS

IR

Vibrations