Geometry & MOs

Info

ID:	73104
PubChem CID:	48416998
Reduced:	O5N6H12C15 (1)
Stoich.:	A5B6C12D15 (1)
Weight, g/mol:	352.128388
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	2.38
IP(EA), eV:	-9.67(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations