Geometry & MOs

Info

ID:	149056
PubChem CID:	53788727
Reduced:	C29H52 (1)
Stoich.:	A29B52 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	0.24
IP(EA), eV:	-8.94(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[5-(3-methylphenyl)pentoxycarbonyloxy]propanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C.C1CCCCCCCCCCCCCCCCCCC1

DOS

IR

Vibrations