Geometry & MOs

Info

ID:	70789
PubChem CID:	48413874
Reduced:	N4O5C17H22 (1)
Stoich.:	A4B5C17D22 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-142.9
Dipole, Da:	3.44
IP(EA), eV:	-8.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations