Geometry & MOs

Info

ID:	253883
PubChem CID:	103121309
Reduced:	ClON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	71.55
Dipole, Da:	6.19
IP(EA), eV:	-8.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=CC(=C2)C#CCN)Cl

DOS

IR

Vibrations