Geometry & MOs

Info

ID:	153499
PubChem CID:	56312731
Reduced:	N2F3O5C17H21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	423.213362
ΔH_f, kcal/mol:	-345.25
Dipole, Da:	4.67
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-1-prop-2-ynylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCOC(C2)C(=O)N)OCC(F)(F)F

DOS

IR

Vibrations