Geometry & MOs

Info

ID:	147765
PubChem CID:	53787423
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	307.081305
ΔH_f, kcal/mol:	-63.89
Dipole, Da:	1.71
IP(EA), eV:	-8.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-cyano-5-(dimethylamino)-1,3-dithian-2-yl]-N-phenylformamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=NC=CC(=C1)N2CCNCC2

DOS

IR

Vibrations