Geometry & MOs

Info

ID:	155035
PubChem CID:	56314824
Reduced:	ON4C25H30 (1)
Stoich.:	AB4C25D30 (1)
Weight, g/mol:	449.134403
ΔH_f, kcal/mol:	7.14
Dipole, Da:	5.14
IP(EA), eV:	-8.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=CC=C2C)C)C(=O)NC3CCN(CC3)CC4=CC=CC=N4

DOS

IR

Vibrations