Geometry & MOs

Info

ID:	272823
PubChem CID:	103760094
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	25.75
Dipole, Da:	4.77
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyano-2-methylphenoxy)-N-cyclopropyl-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)OCC2=NC(=C(S2)C)C

DOS

IR

Vibrations