Geometry & MOs

Info

ID:	137631
PubChem CID:	52237584
Reduced:	N2O2F3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	293.116427
ΔH_f, kcal/mol:	-203.48
Dipole, Da:	5.43
IP(EA), eV:	-9.36(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations