Geometry & MOs

Info

ID:	320608
PubChem CID:	126662026
Reduced:	ON3C28H43 (1)
Stoich.:	AB3C28D43 (1)
Weight, g/mol:	425.224932
ΔH_f, kcal/mol:	-10.52
Dipole, Da:	4.3
IP(EA), eV:	-8.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-pyrazol-4-yl)-N-[2-(3-ethyl-3-propylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCC/C=C(\C)/C1=CCC=C(C=C1)OCC2CCN(CC2)C3=NC(=NC3)C(C)C

DOS

IR

Vibrations