Geometry & MOs

Info

ID:	271003
PubChem CID:	103639961
Reduced:	BrFN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	2.86
IP(EA), eV:	-8.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CCC(C)N(C)CCNCC1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations