Geometry & MOs

Info

ID:	73112
PubChem CID:	48417016
Reduced:	FO2N6H11C15 (1)
Stoich.:	AB2C6D11E15 (1)
Weight, g/mol:	323.101839
ΔH_f, kcal/mol:	33.34
Dipole, Da:	4.28
IP(EA), eV:	-9.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)N3C(=C(C=N3)C#N)N)F

DOS

IR

Vibrations