Geometry & MOs

Info

ID:	353367
PubChem CID:	127284743
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-75.9
Dipole, Da:	3.99
IP(EA), eV:	-8.69(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N(C1)C(=O)C3CCOC3

DOS

IR

Vibrations