Geometry & MOs

Info

ID:	155009
PubChem CID:	56314575
Reduced:	N3O6H25C26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	494.246396
ΔH_f, kcal/mol:	-164.12
Dipole, Da:	2.7
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)COC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations