Geometry & MOs

Info

ID:	370212
PubChem CID:	127337745
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	377.196408
ΔH_f, kcal/mol:	15.62
Dipole, Da:	2.39
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N(C)C3CCCN(C3)C4=NN=CC=C4

DOS

IR

Vibrations