Geometry & MOs

Info

ID:	208249
PubChem CID:	80508289
Reduced:	F3N5C13H16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	6.21
IP(EA), eV:	-9.79(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-N-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1CN)N2C=C(C=N2)C(F)(F)F)CC

DOS

IR

Vibrations