Geometry & MOs

Info

ID:	129490
PubChem CID:	51072805
Reduced:	N4O4H14C17 (1)
Stoich.:	A4B4C14D17 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-98.86
Dipole, Da:	7.98
IP(EA), eV:	-9.17(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azocane-1-carbonyl)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)COC(=O)C3=CC=C(C=C3)NC(=O)N

DOS

IR

Vibrations