Geometry & MOs

Info

ID:	141439
PubChem CID:	52877868
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	1.86
IP(EA), eV:	-8.57(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide

Drug info:

PubChemData

Smile

CC[C@@H](CN(CC(=O)N)C1=CC=CC=C1)O

DOS

IR

Vibrations