Geometry & MOs

Info

ID:	413495
PubChem CID:	135086444
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	-112.26
Dipole, Da:	4.08
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethenylphenyl)ethynyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)NN(C(C)C#CC1=CC=CC=C1)C(=O)OC(C)C

DOS

IR

Vibrations