Geometry & MOs

Info

ID:	83988
PubChem CID:	49863088
Reduced:	O2N3C24H39 (1)
Stoich.:	A2B3C24D39 (1)
Weight, g/mol:	361.077265
ΔH_f, kcal/mol:	-112.41
Dipole, Da:	4.55
IP(EA), eV:	-9.32(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-5-phenylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)CCN(CCC2CCOCC2)C(=O)NCCCC3=CC=NC=C3

DOS

IR

Vibrations