Geometry & MOs

Info

ID:	292554
PubChem CID:	116933583
Reduced:	BrSN2C9H15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	242.118591
ΔH_f, kcal/mol:	9.74
Dipole, Da:	2.04
IP(EA), eV:	-9.37(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methoxyphenyl)-3-methylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(CC(C1=CC(=CS1)Br)N)N

DOS

IR

Vibrations