Geometry & MOs

Info

ID:	205652
PubChem CID:	80132193
Reduced:	BrOF2N2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	332.03358
ΔH_f, kcal/mol:	-94.27
Dipole, Da:	2.4
IP(EA), eV:	-9.21(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CC1NCCCNC(=O)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations