Geometry & MOs

Info

ID:	58364
PubChem CID:	24698017
Reduced:	BrFN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	218.178299
ΔH_f, kcal/mol:	-103.27
Dipole, Da:	3.15
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(piperidin-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations