Geometry & MOs

Info

ID:	201385
PubChem CID:	79531313
Reduced:	FON2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	222.057532
ΔH_f, kcal/mol:	-125.17
Dipole, Da:	5.76
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC2=C(NN=C2)N)OC(F)F

DOS

IR

Vibrations