Geometry & MOs

Info

ID:	264938
PubChem CID:	103504293
Reduced:	SO2N3C15H27 (1)
Stoich.:	AB2C3D15E27 (1)
Weight, g/mol:	314.177647
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	8.21
IP(EA), eV:	-9.0(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[5-methyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)CNC)C

DOS

IR

Vibrations