Geometry & MOs

Info

ID:	305803
PubChem CID:	124970004
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	314.221895
ΔH_f, kcal/mol:	-14.47
Dipole, Da:	7.95
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-N-methylpyridazin-3-amine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=NC=CC(=C2)[C@@H]3CCCN3S(=O)(=O)C

DOS

IR

Vibrations