Geometry & MOs

Info

ID:	404999
PubChem CID:	135072109
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	220.125201
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	6.42
IP(EA), eV:	-9.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(4-phenylbut-1-ynyl)benzene

Drug info:

PubChemData

Smile

C/C=C/CNS(=O)(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations