Geometry & MOs

Info

ID:	387912
PubChem CID:	134987382
Reduced:	N2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	26.34
Dipole, Da:	1.19
IP(EA), eV:	-7.65(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R)-8-(diethylamino)-5,7-dimethylbicyclo[4.2.0]oct-7-en-2-one

Drug info:

PubChemData

Smile

CCN(CC)/C(=C/C=C(C)C)/N(C)C1=CC=CC=C1

DOS

IR

Vibrations