Geometry & MOs

Info

ID:	253878
PubChem CID:	103121284
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	28.75
Dipole, Da:	7.99
IP(EA), eV:	-9.09(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=NC=CC(=C2)C#CCCO

DOS

IR

Vibrations