Geometry & MOs

Info

ID:	289845
PubChem CID:	104378999
Reduced:	BrFN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	204.16602
ΔH_f, kcal/mol:	-36.29
Dipole, Da:	4.4
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-methylpropyl)-N-(3-methylsulfanylpropyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CNCCNCC1=C(C(=CC=C1)F)Br

DOS

IR

Vibrations