Geometry & MOs

Info

ID:	270595
PubChem CID:	103637210
Reduced:	BrNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	340.11503
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	4.21
IP(EA), eV:	-8.84(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(2-methyl-3-piperidin-1-ylpropyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations