Geometry & MOs

Info

ID:	73075
PubChem CID:	48416945
Reduced:	O3N5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	244.076039
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	5.61
IP(EA), eV:	-9.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-fluoro-4-methylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations