Geometry & MOs

Info

ID:	268969
PubChem CID:	103603562
Reduced:	SN2C18H34 (1)
Stoich.:	AB2C18D34 (1)
Weight, g/mol:	391.99219
ΔH_f, kcal/mol:	-13.78
Dipole, Da:	2.04
IP(EA), eV:	-8.74(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol

Drug info:

PubChemData

Smile

CCCCCCCCCCNCC(C1=CC=CS1)N(C)C

DOS

IR

Vibrations