Geometry & MOs

Info

ID:	330253
PubChem CID:	127247240
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	10.03
Dipole, Da:	5.67
IP(EA), eV:	-9.21(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylthiophen-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations