Geometry & MOs

Info

ID:	187013
PubChem CID:	77518673
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	15.55
Dipole, Da:	5.34
IP(EA), eV:	-8.56(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[1-oxo-4-(pyrazolidin-3-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations