Geometry & MOs

Info

ID:	292225
PubChem CID:	114526470
Reduced:	S2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	218.154976
ΔH_f, kcal/mol:	44.61
Dipole, Da:	0.98
IP(EA), eV:	-8.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CN(C)CCCSC1=NC2=C(S1)C=C(C=C2)N

DOS

IR

Vibrations