Geometry & MOs

Info

ID:	73121
PubChem CID:	48417033
Reduced:	OSN4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	321.086189
ΔH_f, kcal/mol:	48.14
Dipole, Da:	5.85
IP(EA), eV:	-9.25(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations