Geometry & MOs

Info

ID:	363348
PubChem CID:	127310877
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	48.96
Dipole, Da:	2.91
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations