Geometry & MOs

Info

ID:	277338
PubChem CID:	103827949
Reduced:	FNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	354.13068
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	2.27
IP(EA), eV:	-9.19(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-methoxyphenyl)methyl]-1-butylpiperidin-4-amine

Drug info:

PubChemData

Smile

C[C@H](CO)NC/C=C/C1=CC=C(C=C1)F

DOS

IR

Vibrations