Geometry & MOs

Info

ID:	370700
PubChem CID:	127339892
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	3.95
IP(EA), eV:	-8.83(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCC(CC3)C4=CC=NN4C)C

DOS

IR

Vibrations