Geometry & MOs

Info

ID:	270623
PubChem CID:	103637352
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	340.11503
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	4.92
IP(EA), eV:	-8.81(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations