Geometry & MOs

Info

ID:	130071
PubChem CID:	51074837
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	340.125944
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	3.37
IP(EA), eV:	-9.28(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-N,N-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C(=O)N2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations