Geometry & MOs

Info

ID:	249363
PubChem CID:	103088947
Reduced:	BrSN2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	238.15037
ΔH_f, kcal/mol:	11.49
Dipole, Da:	5.53
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-methylphenyl)-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CSCCCC(CN)NC1=CC(=CC=C1)Br

DOS

IR

Vibrations