Geometry & MOs

Info

ID:	261732
PubChem CID:	103247965
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	4.29
IP(EA), eV:	-8.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-(1-phenylpropylamino)butanoic acid

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC(=C1)NCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations