Geometry & MOs

Info

ID:	73141
PubChem CID:	48417068
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	313.117489
ΔH_f, kcal/mol:	1.85
Dipole, Da:	7.15
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations