Geometry & MOs

Info

ID:	423578
PubChem CID:	135119765
Reduced:	FNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-248.85
Dipole, Da:	9.0
IP(EA), eV:	-10.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanopiperidin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations