Geometry & MOs

Info

ID:	70212
PubChem CID:	47211705
Reduced:	N2S2O3C13H20 (1)
Stoich.:	A2B2C3D13E20 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	3.26
IP(EA), eV:	-9.26(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)C2CCCN2S(=O)(=O)C

DOS

IR

Vibrations