Geometry & MOs

Info

ID:	261271
PubChem CID:	103224650
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	200.116092
ΔH_f, kcal/mol:	-182.69
Dipole, Da:	6.48
IP(EA), eV:	-9.17(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-cyanoethyl(ethyl)amino]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CCOC1CCCN(C1)C(COC)C(=O)O

DOS

IR

Vibrations