Geometry & MOs

Info

ID:	57582
PubChem CID:	22425567
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-110.47
Dipole, Da:	4.02
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CN2C(=O)C=C3CCCC3=N2)OC

DOS

IR

Vibrations