Geometry & MOs

Info

ID:	416083
PubChem CID:	135089091
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	403.136591
ΔH_f, kcal/mol:	25.37
Dipole, Da:	5.75
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations