Geometry & MOs

Info

ID:	390605
PubChem CID:	134999952
Reduced:	O3C18H32 (1)
Stoich.:	A3B18C32 (1)
Weight, g/mol:	323.264441
ΔH_f, kcal/mol:	-178.47
Dipole, Da:	2.33
IP(EA), eV:	-9.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7E,8S,9aS)-7-butylidene-1,2,3,5,6,8,9,9a-octahydropyrrolo[1,2-a]azepin-8-yl]oxy-triethylsilane

Drug info:

PubChemData

Smile

CCCCCC/C=C(/CCC(=O)CCCCC)\C(=O)OC

DOS

IR

Vibrations