Geometry & MOs

Info

ID:	329660
PubChem CID:	126920551
Reduced:	N4C7H8 (2)
Stoich.:	A4B7C8 (2)
Weight, g/mol:	350.121527
ΔH_f, kcal/mol:	160.9
Dipole, Da:	7.15
IP(EA), eV:	-9.43(-1.1)
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]-6-(trifluoromethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC=CN=C1N(C)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations