Geometry & MOs

Info

ID:	387945
PubChem CID:	134987491
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	3.33
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,7S,8R)-6-methoxytricyclo[6.2.1.02,7]undec-9-en-3-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C(=CC=C1)OC)C=O

DOS

IR

Vibrations