Geometry & MOs

Info

ID:	55676
PubChem CID:	17395805
Reduced:	ClON3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-3.07
Dipole, Da:	4.71
IP(EA), eV:	-8.56(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-ethylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NCC(=O)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations