Geometry & MOs

Info

ID:	70759
PubChem CID:	48413831
Reduced:	O2F3N5H18C19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	375.119461
ΔH_f, kcal/mol:	-149.32
Dipole, Da:	2.89
IP(EA), eV:	-9.51(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC(=C3)C(F)(F)F)C

DOS

IR

Vibrations