Geometry & MOs

Info

ID:	211764
PubChem CID:	81053678
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-74.27
Dipole, Da:	6.25
IP(EA), eV:	-9.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-ethoxyethyl)-1-N-methyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C1=C(C(=NC(=C1)C)C)C(=O)O

DOS

IR

Vibrations