Geometry & MOs

Info

ID:	227071
PubChem CID:	87560041
Reduced:	ClON5C25H28 (1)
Stoich.:	ABC5D25E28 (1)
Weight, g/mol:	282.03678
ΔH_f, kcal/mol:	59.48
Dipole, Da:	5.31
IP(EA), eV:	-9.17(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(4-methylpiperazin-1-yl)benzaldehyde

Drug info:

PubChemData

Smile

CN1N=C(N=N1)C(CC2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4(CCCC4)CC(=C)Cl

DOS

IR

Vibrations