Geometry & MOs

Info

ID:	269765
PubChem CID:	103618973
Reduced:	ClINOH13C16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	36.17
Dipole, Da:	3.84
IP(EA), eV:	-9.41(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)CNC(=O)C3=C(C=CC(=C3)Cl)I

DOS

IR

Vibrations