Geometry & MOs

Info

ID:	69464
PubChem CID:	47184032
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-5.2
Dipole, Da:	5.11
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-(4-phenoxybutyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=C2C=NNC2=CC=C1

DOS

IR

Vibrations