Geometry & MOs

Info

ID:	364868
PubChem CID:	127316340
Reduced:	SO2N3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-103.81
Dipole, Da:	4.95
IP(EA), eV:	-9.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CCNC(=O)C3CCCCC3

DOS

IR

Vibrations