Geometry & MOs

Info

ID:	370156
PubChem CID:	127337532
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	356.170922
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	2.24
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1CNC(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations