Geometry & MOs

Info

ID:	342940
PubChem CID:	127266103
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	275.124547
ΔH_f, kcal/mol:	-27.42
Dipole, Da:	7.45
IP(EA), eV:	-9.23(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazol-4-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC1=C(C=CN1)C(=O)NC(CC)CC#N

DOS

IR

Vibrations