Geometry & MOs

Info

ID:	213192
PubChem CID:	81063140
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	2.51
IP(EA), eV:	-9.89(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-cyanophenoxy)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations