Geometry & MOs

Info

ID:	427194
PubChem CID:	135156010
Reduced:	O2F3N4H7C12 (1)
Stoich.:	A2B3C4D7E12 (1)
Weight, g/mol:	383.212826
ΔH_f, kcal/mol:	-128.91
Dipole, Da:	4.9
IP(EA), eV:	-9.44(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(benzylamino)-2-chlorophenyl]-N-(cyclobutylmethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

C1=CN2C(=CC=N2)C(=C1)C3=NNC(=C3C(=O)O)C(F)(F)F

DOS

IR

Vibrations