Geometry & MOs

Info

ID:	18731
PubChem CID:	547028
Reduced:	NO5C25H37 (1)
Stoich.:	AB5C25D37 (1)
Weight, g/mol:	431.267173
ΔH_f, kcal/mol:	-172.92
Dipole, Da:	8.65
IP(EA), eV:	-5.42(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyloxy-6,6,12a-trimethyl-8-oxo-1,2,3,3a,3b,4,5,5a,7,10b,11,12-dodecahydroindeno[5,4-g][2]benzazepin-10a-yl)methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC12C=CC(=O)NC(C1CCC3C2CCC4(C3CCC4OC(=O)C)C)(C)C

DOS

IR

Vibrations