Geometry & MOs

Info

ID:	343900
PubChem CID:	127267076
Reduced:	N6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	329.190341
ΔH_f, kcal/mol:	97.06
Dipole, Da:	2.06
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-amino-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NCC3=NC=NN3C(C)C)C

DOS

IR

Vibrations