Geometry & MOs

Info

ID:	263856
PubChem CID:	103401596
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	218.064447
ΔH_f, kcal/mol:	-176.22
Dipole, Da:	5.87
IP(EA), eV:	-9.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-N-[(3-chloro-4-methylthiophen-2-yl)methyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

COCCOCCCOC1=C(C=CN=C1)C(=O)O

DOS

IR

Vibrations