Geometry & MOs

Info

ID:	73407
PubChem CID:	48417634
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	413.01235
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	4.89
IP(EA), eV:	-9.4(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations