Geometry & MOs

Info

ID:	324313
PubChem CID:	126677415
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-170.2
Dipole, Da:	5.77
IP(EA), eV:	-9.01(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4R)-3-[(E)-2-(3-cyanophenyl)ethenyl]-4-(4-methoxyphenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)C=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations