Geometry & MOs

Info

ID:	414027
PubChem CID:	135086980
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	336.0375
ΔH_f, kcal/mol:	-130.71
Dipole, Da:	6.3
IP(EA), eV:	-10.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbut-1-ynyl)-2-(2-iodoethynyl)-4,5-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(CC=C)C2CC2

DOS

IR

Vibrations