Geometry & MOs

Info

ID:	293119
PubChem CID:	117374233
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	5.97
IP(EA), eV:	-9.07(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(3-pyrrolidin-1-ylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCCC2)C(CN)C(=O)O

DOS

IR

Vibrations