Geometry & MOs

Info

ID:	289037
PubChem CID:	104332163
Reduced:	FO2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	313.04775
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	2.14
IP(EA), eV:	-9.86(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(bromomethyl)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2=NN=C3N2C=C(C=C3)C(=O)O

DOS

IR

Vibrations