Geometry & MOs

Info

ID:	30368
PubChem CID:	841202
Reduced:	F2O2N3C15H15 (1)
Stoich.:	A2B2C3D15E15 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-128.66
Dipole, Da:	4.08
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NC2=CC=CC(=C2)C(=O)C)C(F)F

DOS

IR

Vibrations