Geometry & MOs

Info

ID:	209485
PubChem CID:	80678371
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	329.04267
ΔH_f, kcal/mol:	-3.55
Dipole, Da:	3.31
IP(EA), eV:	-9.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)C(=O)C2=C3C=CC=NC3=CC=C2

DOS

IR

Vibrations