Geometry & MOs

Info

ID:	253880
PubChem CID:	103121290
Reduced:	FON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	22.06
Dipole, Da:	7.78
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations