Geometry & MOs

Info

ID:	419788
PubChem CID:	135109061
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	1.53
IP(EA), eV:	-9.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(hydroxymethyl)cyclohexyl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)C3=CSC=N3

DOS

IR

Vibrations