Geometry & MOs

Info

ID:	213919
PubChem CID:	81065550
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-172.02
Dipole, Da:	5.21
IP(EA), eV:	-9.78(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(phenoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1CCCCC1

DOS

IR

Vibrations