Geometry & MOs

Info

ID:	381665
PubChem CID:	134972463
Reduced:	NC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	516.25433
ΔH_f, kcal/mol:	18.18
Dipole, Da:	2.2
IP(EA), eV:	-8.14(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,8R,9R)-14-hydroxy-16-methoxy-9-[(1R)-1-methoxyethyl]-6,6-dimethyl-9-trimethylsilyloxy-5,7-dioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-13,15(20),16,18-tetraen-12-one

Drug info:

PubChemData

Smile

C[C@]1(CCCN1C=C)C=C

DOS

IR

Vibrations