Geometry & MOs

Info

ID:	278896
PubChem CID:	103839702
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	3.5
IP(EA), eV:	-8.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CN1C=NC2=CC=CC=C21)(CN(C)C)O

DOS

IR

Vibrations