Geometry & MOs

Info

ID:	251200
PubChem CID:	103102131
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	274.04809
ΔH_f, kcal/mol:	3.79
Dipole, Da:	1.99
IP(EA), eV:	-8.67(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-bromo-5-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1=CC2=C(S1)CCCC2

DOS

IR

Vibrations