Geometry & MOs

Info

ID:	273849
PubChem CID:	103805362
Reduced:	ION2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	268.139862
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	6.23
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC(CC2)CN)I

DOS

IR

Vibrations