Geometry & MOs

Info

ID:	57818
PubChem CID:	24277554
Reduced:	N2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	277.086956
ΔH_f, kcal/mol:	-0.24
Dipole, Da:	3.5
IP(EA), eV:	-7.97(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-chloropropanoyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C3C(=C1)CCN3CCC2)N

DOS

IR

Vibrations