Geometry & MOs

Info

ID:	322235
PubChem CID:	126669387
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	394.202321
ΔH_f, kcal/mol:	-173.3
Dipole, Da:	3.95
IP(EA), eV:	-8.81(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(3S)-3-[(4-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1C(CNC1=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations