Geometry & MOs

Info

ID:	347422
PubChem CID:	127272271
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	2.36
IP(EA), eV:	-8.72(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-thiazol-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=CC=C2)NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations