Geometry & MOs

Info

ID:	213980
PubChem CID:	81065617
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-138.25
Dipole, Da:	9.13
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-methylquinoxalin-2-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)NCC(C)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations