Geometry & MOs

Info

ID:	305800
PubChem CID:	124969807
Reduced:	N3C10H16 (2)
Stoich.:	A3B10C16 (2)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	55.18
Dipole, Da:	1.85
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CCCCN1C=C(C(=N1)C)CN2CCC[C@@H]2C3=NC=CC(=N3)CN(C)C

DOS

IR

Vibrations