Geometry & MOs

Info

ID:	240999
PubChem CID:	93619183
Reduced:	NSO3C14H27 (1)
Stoich.:	ABC3D14E27 (1)
Weight, g/mol:	275.185844
ΔH_f, kcal/mol:	-177.19
Dipole, Da:	2.08
IP(EA), eV:	-9.34(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)CCS(=O)(=O)CC(C)C)C

DOS

IR

Vibrations