Geometry & MOs

Info

ID:	70903
PubChem CID:	48414024
Reduced:	F2N3O3C14H15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-171.29
Dipole, Da:	2.55
IP(EA), eV:	-9.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations