Geometry & MOs

Info

ID:	449649
PubChem CID:	135300324
Reduced:	NSO4C10H19 (1)
Stoich.:	ABC4D10E19 (1)
Weight, g/mol:	414.180424
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	5.36
IP(EA), eV:	-10.55(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1(CC1C(=O)N)CC(C)(C)CS(=O)(=O)O

DOS

IR

Vibrations