Geometry & MOs

Info

ID:	225305
PubChem CID:	85756456
Reduced:	ClO2F3N3H11C17 (1)
Stoich.:	AB2C3D3E11F17 (1)
Weight, g/mol:	264.126263
ΔH_f, kcal/mol:	-166.04
Dipole, Da:	6.97
IP(EA), eV:	-9.0(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-N-(3-phenylprop-2-ynyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=CO2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations