Geometry & MOs

Info

ID:	69604
PubChem CID:	47205013
Reduced:	ON4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	55.24
Dipole, Da:	3.34
IP(EA), eV:	-9.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NCC2=CC=NN2)C#N

DOS

IR

Vibrations