Geometry & MOs

Info

ID:	72987
PubChem CID:	48416766
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	356.103316
ΔH_f, kcal/mol:	6.07
Dipole, Da:	3.59
IP(EA), eV:	-9.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations