Geometry & MOs

Info

ID:	269111
PubChem CID:	103614477
Reduced:	NOBr2F2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-88.2
Dipole, Da:	2.9
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations