Geometry & MOs

Info

ID:	352401
PubChem CID:	127283488
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	50.89
Dipole, Da:	2.76
IP(EA), eV:	-9.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCCCC3C4=NC=CS4

DOS

IR

Vibrations