Geometry & MOs

Info

ID:	365842
PubChem CID:	127318782
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	369.135638
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	3.06
IP(EA), eV:	-8.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCCCC3C4=CNN=C4)C

DOS

IR

Vibrations