Geometry & MOs

Info

ID:	330315
PubChem CID:	127247302
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	2.35
Dipole, Da:	4.95
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations