Geometry & MOs

Info

ID:	142302
PubChem CID:	53013247
Reduced:	BrN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	469.1001
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	5.2
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)Br

DOS

IR

Vibrations