Geometry & MOs

Info

ID:	213541
PubChem CID:	81064076
Reduced:	NOSC10H23 (1)
Stoich.:	ABCD10E23 (1)
Weight, g/mol:	296.100836
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	2.13
IP(EA), eV:	-8.77(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(4-nitrophenoxy)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC(C)CS

DOS

IR

Vibrations