Geometry & MOs

Info

ID:	270534
PubChem CID:	103637037
Reduced:	BrON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	267.138992
ΔH_f, kcal/mol:	1.72
Dipole, Da:	5.89
IP(EA), eV:	-8.75(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(3-cyclopentylpropylamino)methyl]phenol

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations