Geometry & MOs

Info

ID:	126000
PubChem CID:	50948075
Reduced:	ClSN5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	278.116761
ΔH_f, kcal/mol:	89.38
Dipole, Da:	2.96
IP(EA), eV:	-8.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(3-pyridin-3-ylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN2CCN(CC2)C3=NSC4=CC=CC=C43)Cl)C

DOS

IR

Vibrations