Geometry & MOs

Info

ID:	291713
PubChem CID:	113460370
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-76.28
Dipole, Da:	6.18
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-2-methoxyphenyl)-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)C#N)OC)OC

DOS

IR

Vibrations