Geometry & MOs

Info

ID:	148919
PubChem CID:	53788589
Reduced:	O2H16C25 (1)
Stoich.:	A2B16C25 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	34.91
Dipole, Da:	1.83
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,4R)-3-phenylpiperidin-4-yl]aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=CC5=C(C=C4)OC6=CC=CC=C65

DOS

IR

Vibrations