Geometry & MOs

Info

ID:	73405
PubChem CID:	48417627
Reduced:	OF3N4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	346.154209
ΔH_f, kcal/mol:	-151.67
Dipole, Da:	2.54
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(F)(F)F)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations