Geometry & MOs

Info

ID:	73103
PubChem CID:	48416997
Reduced:	O2F3N6H11C17 (1)
Stoich.:	A2B3C6D11E17 (1)
Weight, g/mol:	356.086918
ΔH_f, kcal/mol:	-77.38
Dipole, Da:	12.31
IP(EA), eV:	-9.26(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations