Geometry & MOs

Info

ID:	369242
PubChem CID:	127331593
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	3.61
IP(EA), eV:	-8.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=CN=CC=C2)C

DOS

IR

Vibrations