Geometry & MOs

Info

ID:	73186
PubChem CID:	48417167
Reduced:	ClFOSN4H6C13 (1)
Stoich.:	ABCDE4F6G13 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	23.3
Dipole, Da:	2.78
IP(EA), eV:	-8.81(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations