Geometry & MOs

Info

ID:	422211
PubChem CID:	135117411
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	351.159434
ΔH_f, kcal/mol:	5.22
Dipole, Da:	5.35
IP(EA), eV:	-9.71(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxybutyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCN2C=NN=C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations