Geometry & MOs

Info

ID:	364070
PubChem CID:	127313767
Reduced:	BrO2N5C12H14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	251.149699
ΔH_f, kcal/mol:	23.29
Dipole, Da:	2.69
IP(EA), eV:	-9.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-ylmethyl)-3-(trifluoromethyl)piperidine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2CCCN2C3=C(C(=O)N(N=C3)C)Br

DOS

IR

Vibrations