Geometry & MOs

Info

ID:	70728
PubChem CID:	48413782
Reduced:	O3N5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	327.119461
ΔH_f, kcal/mol:	30.28
Dipole, Da:	7.52
IP(EA), eV:	-9.45(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=C2C(=NO3)C)C4=CC=CO4

DOS

IR

Vibrations