Geometry & MOs

Info

ID:	363330
PubChem CID:	127310842
Reduced:	OS2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	77.56
Dipole, Da:	3.0
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations