Geometry & MOs

Info

ID:	212904
PubChem CID:	81062206
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	7.05
IP(EA), eV:	-9.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CSC(=C1)/C=C/C(=O)O

DOS

IR

Vibrations