Geometry & MOs

Info

ID:	399446
PubChem CID:	135040318
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	2.67
IP(EA), eV:	-9.37(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dihydro-1,3-oxazol-2-yl)-N-(2-methylbut-3-en-2-yl)aniline

Drug info:

PubChemData

Smile

CC1=C[C@@H](CCC1)OC(=O)[C@@H](C)CC2=CC=CC=C2

DOS

IR

Vibrations