Geometry & MOs

Info

ID:	212673
PubChem CID:	81061459
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	246.194343
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	1.59
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=NC=C1)N(C)CCOC(C)C)N

DOS

IR

Vibrations