Geometry & MOs

Info

ID:	170015
PubChem CID:	75181818
Reduced:	SF3N3O5C40H52 (1)
Stoich.:	AB3C3D5E40F52 (1)
Weight, g/mol:	348.241293
ΔH_f, kcal/mol:	-371.77
Dipole, Da:	5.75
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-amino-3-phenylpropoxy)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)NC(CCCC4CCN(CC4)CC5CCOCC5)CC6=CC=CC=C6.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations