Geometry & MOs

Info

ID:	253875
PubChem CID:	103121275
Reduced:	ClO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	0.15
Dipole, Da:	6.92
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations