Geometry & MOs

Info

ID:	150147
PubChem CID:	53789834
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-9.87
Dipole, Da:	3.0
IP(EA), eV:	-8.59(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,8R)-5,10-dimethyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-10-ol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC2=CC=C(C=C2)C3CCCCC3

DOS

IR

Vibrations