Geometry & MOs

Info

ID:	69780
PubChem CID:	47205387
Reduced:	ON2S2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	5.75
Dipole, Da:	6.01
IP(EA), eV:	-9.14(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-3,5-dimethoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=CC=C(C=C1)C2SCCS2)C#N

DOS

IR

Vibrations