Geometry & MOs

Info

ID:	70819
PubChem CID:	48413912
Reduced:	NOC4H5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-105.84
Dipole, Da:	4.93
IP(EA), eV:	-8.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-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

DOS

IR

Vibrations