Geometry & MOs

Info

ID:	184055
PubChem CID:	77104854
Reduced:	N3O3C8H11 (1)
Stoich.:	A3B3C8D11 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-89.94
Dipole, Da:	2.69
IP(EA), eV:	-10.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxycyclobutyl)-4-oxo-1H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1C(CC1O)NC(=O)C2C=NC(=O)N2

DOS

IR

Vibrations