Geometry & MOs

Info

ID:	70957
PubChem CID:	48414100
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	30.64
Dipole, Da:	4.05
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations