Geometry & MOs

Info

ID:	307560
PubChem CID:	125307494
Reduced:	OS2N6C10H10 (1)
Stoich.:	AB2C6D10E10 (1)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	85.78
Dipole, Da:	5.39
IP(EA), eV:	-9.44(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methyl-4H-pyrazol-3-yl)amino]-2-oxoethyl] 4-acetamidobenzoate

Drug info:

PubChemData

Smile

CC1=NN2C(=O)CC(=NC2=N1)CSC3=NN=C(S3)C

DOS

IR

Vibrations