Geometry & MOs

Info

ID:	272671
PubChem CID:	103750994
Reduced:	NOSC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	299.128821
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	4.59
IP(EA), eV:	-9.22(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1=CSC(=N1)C2=CSC=C2

DOS

IR

Vibrations