Geometry & MOs

Info

ID:	187012
PubChem CID:	77518672
Reduced:	ON5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	97.79
Dipole, Da:	4.47
IP(EA), eV:	-8.45(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methyl]-4-[(5-methylpyrazolidin-3-yl)amino]phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=C3C=CC=CC3C(=O)N=N2

DOS

IR

Vibrations