Geometry & MOs

Info

ID:	69714
PubChem CID:	47205230
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	278.083747
ΔH_f, kcal/mol:	-36.97
Dipole, Da:	4.16
IP(EA), eV:	-9.39(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-(1H-pyrazol-5-ylmethylamino)propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations