Geometry & MOs

Info

ID:	158341
PubChem CID:	56463442
Reduced:	BrON5C18H24 (1)
Stoich.:	ABC5D18E24 (1)
Weight, g/mol:	440.12117
ΔH_f, kcal/mol:	22.69
Dipole, Da:	5.17
IP(EA), eV:	-8.13(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3)Br

DOS

IR

Vibrations