Geometry & MOs

Info

ID:	293190
PubChem CID:	117376418
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-95.67
Dipole, Da:	4.11
IP(EA), eV:	-8.67(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1COC2=CC=C(C=C2)C(CCC(=O)O)N

DOS

IR

Vibrations