Geometry & MOs

Info

ID:	420527
PubChem CID:	135113622
Reduced:	O2N5C11H15 (1)
Stoich.:	A2B5C11D15 (1)
Weight, g/mol:	414.170333
ΔH_f, kcal/mol:	35.95
Dipole, Da:	2.61
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)CC2=NC(=NO2)COC

DOS

IR

Vibrations