Geometry & MOs

Info

ID:	37999
PubChem CID:	8026295
Reduced:	N4O4H16C21 (1)
Stoich.:	A4B4C16D21 (1)
Weight, g/mol:	288.068097
ΔH_f, kcal/mol:	15.11
Dipole, Da:	9.62
IP(EA), eV:	-8.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

DOS

IR

Vibrations