Geometry & MOs

Info

ID:	268854
PubChem CID:	103601241
Reduced:	BrNOC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	270.07529
ΔH_f, kcal/mol:	-16.88
Dipole, Da:	5.57
IP(EA), eV:	-8.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyanomethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCCCC1CCOC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations