Geometry & MOs

Info

ID:	73089
PubChem CID:	48416977
Reduced:	O2N4H6C9 (1)
Stoich.:	A2B4C6D9 (1)
Weight, g/mol:	357.143704
ΔH_f, kcal/mol:	30.66
Dipole, Da:	4.74
IP(EA), eV:	-9.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide

Drug info:

PubChemData

Smile

C1=COC=C1C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations