Geometry & MOs

Info

ID:	421040
PubChem CID:	135115273
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	376.154683
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	3.76
IP(EA), eV:	-7.95(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-6-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC=C(C=C3)C)O

DOS

IR

Vibrations