Geometry & MOs

Info

ID:	361530
PubChem CID:	127303720
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	10.89
Dipole, Da:	1.17
IP(EA), eV:	-8.43(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations