Geometry & MOs

Info

ID:	376989
PubChem CID:	134223024
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-15.0
Dipole, Da:	3.37
IP(EA), eV:	-9.18(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,12S)-6-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3(8),9-trien-4-amine

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C3=C2C4=C(COC[C@H]4N)C=C3

DOS

IR

Vibrations