Geometry & MOs

Info

ID:	159168
PubChem CID:	57264286
Reduced:	NOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	28.13
Dipole, Da:	2.74
IP(EA), eV:	-9.24(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azacycloundecan-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)OC2=CC=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations