Geometry & MOs

Info

ID:	270528
PubChem CID:	103637020
Reduced:	BrON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	340.11503
ΔH_f, kcal/mol:	5.95
Dipole, Da:	3.93
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations