Geometry & MOs

Info

ID:	144491
PubChem CID:	53376900
Reduced:	ON5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	303.071842
ΔH_f, kcal/mol:	53.76
Dipole, Da:	5.41
IP(EA), eV:	-8.1(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-2-[4-methoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C=NC3=C(C2=O)C=NC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations