Geometry & MOs

Info

ID:	69619
PubChem CID:	47205036
Reduced:	Cl2O2N3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	269.077596
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	3.55
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=NN1)OC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations