Geometry & MOs

Info

ID:	141438
PubChem CID:	52877867
Reduced:	ClNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	1.36
IP(EA), eV:	-8.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](CN(CC1=CC=C(S1)Cl)C2=CC=CC=C2)O

DOS

IR

Vibrations