Geometry & MOs

Info

ID:	304480
PubChem CID:	124753019
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-7.4
Dipole, Da:	3.19
IP(EA), eV:	-9.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,6R,7S,10R,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one

Drug info:

PubChemData

Smile

C1CN([C@H]1C(=O)O)CC2=C(NN=C2)C3=CC=CC=C3

DOS

IR

Vibrations