Geometry & MOs

Info

ID:	157815
PubChem CID:	56437449
Reduced:	ClN4O4H19C21 (1)
Stoich.:	AB4C4D19E21 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	3.08
IP(EA), eV:	-8.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)C2=CN(N=C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations