Geometry & MOs

Info

ID:	366624
PubChem CID:	127320153
Reduced:	ClOSN5C18H24 (1)
Stoich.:	ABCD5E18F24 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	13.33
Dipole, Da:	8.27
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)SC2=NN=CN2C)Cl)N3CCCCCC3

DOS

IR

Vibrations