Geometry & MOs

Info

ID:	370097
PubChem CID:	127337413
Reduced:	N2O3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	377.082557
ΔH_f, kcal/mol:	-160.35
Dipole, Da:	6.34
IP(EA), eV:	-9.31(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(C1)C3CC2CC3NC(=O)NCC(C4CCOCC4)O

DOS

IR

Vibrations