Geometry & MOs

Info

ID:	158286
PubChem CID:	56463297
Reduced:	OSN3C18H31 (1)
Stoich.:	ABC3D18E31 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	4.58
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N'-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3-pentylphthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCNC(=O)C2=C(N=C(S2)CC(C)C)C

DOS

IR

Vibrations