Geometry & MOs

Info

ID:	212072
PubChem CID:	81059385
Reduced:	NSO5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	216.183778
ΔH_f, kcal/mol:	-189.34
Dipole, Da:	4.75
IP(EA), eV:	-9.91(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)O

DOS

IR

Vibrations