Geometry & MOs

Info

ID:	145152
PubChem CID:	53471318
Reduced:	FOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	250.110613
ΔH_f, kcal/mol:	-284.02
Dipole, Da:	4.39
IP(EA), eV:	-10.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanoethyl)-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@@H]1CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations