Geometry & MOs

Info

ID:	242629
PubChem CID:	97857627
Reduced:	SO2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	0.71
Dipole, Da:	2.4
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-methyl-4-[[[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]amino]methyl]pyrazol-3-yl]benzonitrile

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2O1)SC3=NN=C(N3C)CCC(=O)N

DOS

IR

Vibrations