Geometry & MOs

Info

ID:	264939
PubChem CID:	103504294
Reduced:	SO2N4C14H26 (1)
Stoich.:	AB2C4D14E26 (1)
Weight, g/mol:	300.161997
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	6.73
IP(EA), eV:	-8.83(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)S(=O)(=O)N2CCC(CC2)C(C)C)CNC

DOS

IR

Vibrations