Geometry & MOs

Info

ID:	273355
PubChem CID:	103770957
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-98.76
Dipole, Da:	3.32
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CCSC1=CC=CC=C1)O

DOS

IR

Vibrations