Geometry & MOs

Info

ID:	73380
PubChem CID:	48417568
Reduced:	FO2N5H12C18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	3.74
Dipole, Da:	7.34
IP(EA), eV:	-9.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)F)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations