Geometry & MOs

Info

ID:	197743
PubChem CID:	78990811
Reduced:	O2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	3.66
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azocan-1-yl)-2-(2-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NC2=CNN=C2)O

DOS

IR

Vibrations