Geometry & MOs

Info

ID:	370160
PubChem CID:	127337615
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	359.206973
ΔH_f, kcal/mol:	-60.91
Dipole, Da:	0.79
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxolan-2-yl)propan-2-yl]-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3

DOS

IR

Vibrations