Geometry & MOs

Info

ID:	396435
PubChem CID:	135028414
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-34.28
Dipole, Da:	3.18
IP(EA), eV:	-8.93(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,9S,10R,11S,12R)-9-[(E)-but-2-en-2-yl]-1,4,6,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations