Geometry & MOs

Info

ID:	369826
PubChem CID:	127336203
Reduced:	SO3N4C17H30 (1)
Stoich.:	AB3C4D17E30 (1)
Weight, g/mol:	370.203862
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	4.98
IP(EA), eV:	-9.04(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-ylsulfonyl)-N-[(1-propylpyrazol-4-yl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CNC2CCN(CC2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations