Geometry & MOs

Info

ID:	292881
PubChem CID:	117362330
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	3.4
Dipole, Da:	2.68
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-amino-1-methylpyrazol-4-yl)-2-hydroxy-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)NC2=CC=CC(=C21)C3=NOC(=N3)CN

DOS

IR

Vibrations