Geometry & MOs

Info

ID:	347451
PubChem CID:	127272300
Reduced:	FSO2N3C19H22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	-88.05
Dipole, Da:	2.35
IP(EA), eV:	-9.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C=CC(=C2)F)OC1)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations