Geometry & MOs

Info

ID:	293300
PubChem CID:	117383600
Reduced:	O5C13H16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-179.65
Dipole, Da:	7.35
IP(EA), eV:	-9.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-acetamido-3-hydroxyphenyl)-4-aminobutanoic acid

Drug info:

PubChemData

Smile

CC(CC1=C(C(=C(C=C1)C=O)OC)OC)C(=O)O

DOS

IR

Vibrations