Geometry & MOs

Info

ID:	71063
PubChem CID:	48414239
Reduced:	FO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-48.1
Dipole, Da:	6.38
IP(EA), eV:	-9.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexanecarbonylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations