Geometry & MOs

Info

ID:	449463
PubChem CID:	135298827
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	488.231122
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	3.75
IP(EA), eV:	-8.3(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-aminooxycarbonyl-3-(4-phenoxyphenyl)phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC(CC1)N2CC[C@@H]2C(=O)OC

DOS

IR

Vibrations