Geometry & MOs

Info

ID:	306163
PubChem CID:	125001828
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	5.76
IP(EA), eV:	-9.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)C2CCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations