Geometry & MOs

Info

ID:	253882
PubChem CID:	103121292
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	288.077789
ΔH_f, kcal/mol:	67.12
Dipole, Da:	3.86
IP(EA), eV:	-8.46(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)C)C#CCN

DOS

IR

Vibrations