Geometry & MOs

Info

ID:	367667
PubChem CID:	127325210
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	3.83
IP(EA), eV:	-9.25(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)C(=O)C2CCCCC2)C3=CN=CC=C3

DOS

IR

Vibrations