Geometry & MOs

Info

ID:	73030
PubChem CID:	48416839
Reduced:	ClO2N5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	319.088081
ΔH_f, kcal/mol:	38.68
Dipole, Da:	4.73
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C(O2)CCC(=O)N3C(=C(C=N3)C#N)N)Cl

DOS

IR

Vibrations