Geometry & MOs

Info

ID:	377098
PubChem CID:	134223136
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-14.79
Dipole, Da:	3.22
IP(EA), eV:	-9.17(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,4R,12S)-6-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3(8),9-trien-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CC2C[C@H]1C3=C2C=CC4=C3[C@H](COC4)N

DOS

IR

Vibrations