Geometry & MOs

Info

ID:	314506
PubChem CID:	126621997
Reduced:	BrN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	8.25
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)Br

DOS

IR

Vibrations