Geometry & MOs

Info

ID:	370732
PubChem CID:	127340048
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	392.053231
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	2.53
IP(EA), eV:	-8.73(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2(CC3CCC2C3)C(=O)N4CCC(CC4)C5=CC=NN5

DOS

IR

Vibrations