Geometry & MOs

Info

ID:	405317
PubChem CID:	135073469
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	273.209264
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	4.38
IP(EA), eV:	-9.73(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC(=O)CCCN(CC1=CC=CC=C1)S(=O)(=O)N=[N+]=[N-]

DOS

IR

Vibrations