Geometry & MOs

Info

ID:	25588
PubChem CID:	627012
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	54.43
Dipole, Da:	4.11
IP(EA), eV:	-8.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-19-oxahexacyclo[10.5.2.01,13.02,10.05,9.013,15]nonadecan-6-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=NNC(=NC2=CC=C(C=C2)OC)S

DOS

IR

Vibrations