Geometry & MOs

Info

ID:	404884
PubChem CID:	135071566
Reduced:	NSO3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	296.17763
ΔH_f, kcal/mol:	30.56
Dipole, Da:	5.96
IP(EA), eV:	-9.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-1-(2-cyclopropylethynyl)-2-methylcyclopropyl]-4-phenylmethoxybutan-1-one

Drug info:

PubChemData

Smile

C#CCC(C1=CC2=CC=CC=C2C=C1)N(O)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations