Geometry & MOs

Info

ID:	70864
PubChem CID:	48413971
Reduced:	FN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-72.65
Dipole, Da:	2.91
IP(EA), eV:	-9.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F

DOS

IR

Vibrations