Geometry & MOs

Info

ID:	139649
PubChem CID:	52574727
Reduced:	ClOSN3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	24.28
Dipole, Da:	2.52
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-methyl-2-(2-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(C)C(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3Cl

DOS

IR

Vibrations