Geometry & MOs

Info

ID:	361847
PubChem CID:	127304818
Reduced:	OSN5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	1.11
Dipole, Da:	7.06
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-1H-pyrazol-3-yl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)CC3=CN=C(S3)C

DOS

IR

Vibrations