Geometry & MOs

Info

ID:	196264
PubChem CID:	78804371
Reduced:	BrNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-88.64
Dipole, Da:	5.17
IP(EA), eV:	-8.61(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CC2=C(C=CC(=C2)OC)OC)Br

DOS

IR

Vibrations