Geometry & MOs

Info

ID:	367688
PubChem CID:	127325396
Reduced:	ClO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	3.35
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)NC2CCN(C2)C3CCCC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations