Geometry & MOs

Info

ID:	53935
PubChem CID:	14718413
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-78.49
Dipole, Da:	3.56
IP(EA), eV:	-8.42(0.26)
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-trien-3-ol

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C4C2(CCCC4)CCN3)C=C1)O

DOS

IR

Vibrations