Geometry & MOs

Info

ID:	253881
PubChem CID:	103121291
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	54.15
Dipole, Da:	8.57
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations