Geometry & MOs

Info

ID:	329631
PubChem CID:	126920405
Reduced:	O2N7C14H15 (1)
Stoich.:	A2B7C14D15 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	96.28
Dipole, Da:	10.12
IP(EA), eV:	-9.5(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N(C)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations