Geometry & MOs

Info

ID:	137630
PubChem CID:	52237578
Reduced:	BrN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	336.108562
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	8.79
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(ethylcarbamoyl)phenyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations