Geometry & MOs

Info

ID:	58902
PubChem CID:	24715207
Reduced:	OSN3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-21.24
Dipole, Da:	2.5
IP(EA), eV:	-8.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=C2C3=C(CC(CC3)C)SC2=N1)N4CCOCC4

DOS

IR

Vibrations