Geometry & MOs

Info

ID:	73297
PubChem CID:	48417391
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	294.086524
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	5.82
IP(EA), eV:	-8.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-oxoquinoxalin-1-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations