Geometry & MOs

Info

ID:	53937
PubChem CID:	14718416
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	6.49
Dipole, Da:	1.75
IP(EA), eV:	-8.57(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCN3)C=CC=C4)C=C1

DOS

IR

Vibrations