Geometry & MOs

Info

ID:	171761
PubChem CID:	75423303
Reduced:	OF2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	339.198048
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	2.04
IP(EA), eV:	-9.39(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CN(C)C(C2=CN=CC=C2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations