Geometry & MOs

Info

ID:	419582
PubChem CID:	135108477
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	390.206719
ΔH_f, kcal/mol:	19.2
Dipole, Da:	3.56
IP(EA), eV:	-9.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC2=NC=NC(=C2)N)CC3=CC=NC=C3

DOS

IR

Vibrations