Geometry & MOs

Info

ID:	361742
PubChem CID:	127304558
Reduced:	OS2N5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	83.9
Dipole, Da:	3.07
IP(EA), eV:	-9.59(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=CS2)C3=CC=NC=C3)C(=O)C4=CSN=N4

DOS

IR

Vibrations