Geometry & MOs

Info

ID:	270565
PubChem CID:	103637123
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	355.12593
ΔH_f, kcal/mol:	-31.48
Dipole, Da:	3.35
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations