Geometry & MOs

Info

ID:	261133
PubChem CID:	103219129
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	272.107339
ΔH_f, kcal/mol:	8.98
Dipole, Da:	4.91
IP(EA), eV:	-9.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCC(CC)N1C=CC(=N1)CN2C(=O)C=C(C=N2)NCC

DOS

IR

Vibrations