Geometry & MOs

Info

ID:	358789
PubChem CID:	127296655
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	378.166746
ΔH_f, kcal/mol:	6.94
Dipole, Da:	4.78
IP(EA), eV:	-9.21(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]-1-(4-methylidenepiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=NNC3=C2CCC3

DOS

IR

Vibrations