Geometry & MOs

Info

ID:	165711
PubChem CID:	74585909
Reduced:	BrO2N3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	47.71
Dipole, Da:	6.81
IP(EA), eV:	-9.31(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-ium-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=CN2)C3=NC(NO3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations