Geometry & MOs

Info

ID:	304532
PubChem CID:	124756197
Reduced:	FO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	6.16
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[3-(1,3-thiazol-2-yl)azetidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CN3CCCC[C@H]3C(=O)O

DOS

IR

Vibrations