Geometry & MOs

Info

ID:	336043
PubChem CID:	127255050
Reduced:	O3N6C20H20 (1)
Stoich.:	A3B6C20D20 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	3.55
Dipole, Da:	7.46
IP(EA), eV:	-8.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=NNC(=N2)CCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations