Geometry & MOs

Info

ID:	249706
PubChem CID:	103091479
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	166.110613
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	2.6
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC2=C(C=C1)OCC2)N

DOS

IR

Vibrations