Geometry & MOs

Info

ID:	290011
PubChem CID:	104397405
Reduced:	BrSN2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	268.195092
ΔH_f, kcal/mol:	3.03
Dipole, Da:	3.63
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CNC(C)CNCC(C)C)Br

DOS

IR

Vibrations