Geometry & MOs

Info

ID:	342826
PubChem CID:	127265989
Reduced:	BrON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	349.135718
ΔH_f, kcal/mol:	12.33
Dipole, Da:	2.88
IP(EA), eV:	-9.31(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-3-fluoropyridin-4-yl)methyl]-1-(2-methoxyphenyl)piperidin-4-amine

Drug info:

PubChemData

Smile

C1CC2=NC(=C(N2C1)C(=O)NCCC3=CC=CC=N3)Br

DOS

IR

Vibrations