Geometry & MOs

Info

ID:	53936
PubChem CID:	14718414
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	3.28
IP(EA), eV:	-8.5(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11,13-pentaene

Drug info:

PubChemData

Smile

COC1=C(C2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3)C=C1)O

DOS

IR

Vibrations