Geometry & MOs

Info

ID:	159588
PubChem CID:	57288497
Reduced:	N3O3C10H19 (1)
Stoich.:	A3B3C10D19 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	2.92
IP(EA), eV:	-9.14(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetylcycloocta-1,5-dien-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(=O)[C@@H]1CC(CN1)N

DOS

IR

Vibrations