Geometry & MOs

Info

ID:	142303
PubChem CID:	53013248
Reduced:	BrN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	439.08954
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	4.3
IP(EA), eV:	-8.92(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCC(=O)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)Br

DOS

IR

Vibrations