Geometry & MOs

Info

ID:	293118
PubChem CID:	117374221
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	1.45
IP(EA), eV:	-9.0(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5-methyl-2-pyrrolidin-1-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)NC1=CC=CC(=C1)CC2CCCNC2

DOS

IR

Vibrations