Geometry & MOs

Info

ID:	297192
PubChem CID:	117612487
Reduced:	NO2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	490.293054
ΔH_f, kcal/mol:	-211.27
Dipole, Da:	4.11
IP(EA), eV:	-9.88(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R,2R,7S,10R,11S,14R,15S,16S,19S)-10,14-dimethyl-18,21,22-trioxahexacyclo[14.5.1.01,14.02,11.05,10.015,19]docos-4-en-7-yl]oxy]-4-(hydroxymethyl)-2-methyloxan-3-ol

Drug info:

PubChemData

Smile

CCCCCOC(=O)NCCCCC(N)OC=O

DOS

IR

Vibrations