Geometry & MOs

Info

ID:	212855
PubChem CID:	81062028
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	274.225643
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	8.41
IP(EA), eV:	-9.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propylamino)butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations