Geometry & MOs

Info

ID:	264895
PubChem CID:	103501598
Reduced:	BrFN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	301.04998
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	5.11
IP(EA), eV:	-8.23(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylpiperidine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CN2CCC3=C2C=C(C=C3)F)CC

DOS

IR

Vibrations