Geometry & MOs

Info

ID:	37991
PubChem CID:	8026267
Reduced:	N2S2O3C19H24 (1)
Stoich.:	A2B2C3D19E24 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	-97.32
Dipole, Da:	2.94
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-morpholin-4-ylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=CS2)CC(=O)OCC

DOS

IR

Vibrations