Geometry & MOs

Info

ID:	129826
PubChem CID:	51073975
Reduced:	ClON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	25.83
Dipole, Da:	4.26
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC(=CN3)Cl

DOS

IR

Vibrations