Geometry & MOs

Info

ID:	290502
PubChem CID:	104643188
Reduced:	BrFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	330.03792
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	2.34
IP(EA), eV:	-9.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-bromoethoxy)piperidin-1-yl]-(5-fluoropyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CBr)NC(=O)C2=NC=C(C=C2)F

DOS

IR

Vibrations