Geometry & MOs

Info

ID:	249336
PubChem CID:	103088680
Reduced:	SN2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	286.127048
ΔH_f, kcal/mol:	0.46
Dipole, Da:	2.94
IP(EA), eV:	-8.59(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-chlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CN(CC1CC1)C(CCCSC)CN

DOS

IR

Vibrations