Geometry & MOs

Info

ID:	293236
PubChem CID:	117378079
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	248.98007
ΔH_f, kcal/mol:	37.99
Dipole, Da:	3.55
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-3-bromo-4-fluoro-6-methoxyphenol

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=C(C3=C(C=C2)NC=C3)Cl

DOS

IR

Vibrations