Geometry & MOs

Info

ID:	73136
PubChem CID:	48417060
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	329.112404
ΔH_f, kcal/mol:	11.7
Dipole, Da:	7.36
IP(EA), eV:	-9.47(-0.97)
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-dimethoxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations