Geometry & MOs

Info

ID:	48514
PubChem CID:	10852056
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-193.78
Dipole, Da:	2.79
IP(EA), eV:	-9.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,13R)-10-but-3-enyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C([C@@]2(C[C@@H]3[C@](C1=O)(C2=O)CCC3(C)C)C)O

DOS

IR

Vibrations