Geometry & MOs

Info

ID:	242516
PubChem CID:	97301775
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-39.18
Dipole, Da:	2.69
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10R,13R)-5-methoxytricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-13-amine

Drug info:

PubChemData

Smile

C1C[C@H]2CC3=C(C[C@@H]1[C@H]2N)C=CC(=C3)O

DOS

IR

Vibrations