Geometry & MOs

Info

ID:	363307
PubChem CID:	127310724
Reduced:	SO2N3C21H37 (1)
Stoich.:	AB2C3D21E37 (1)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	-134.79
Dipole, Da:	3.64
IP(EA), eV:	-8.52(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCCC1C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations