Geometry & MOs

Info

ID:	73376
PubChem CID:	48417559
Reduced:	FOSN5H12C16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	30.79
Dipole, Da:	2.48
IP(EA), eV:	-9.18(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations