Geometry & MOs

Info

ID:	27066
PubChem CID:	814126
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	293.061885
ΔH_f, kcal/mol:	-35.59
Dipole, Da:	6.44
IP(EA), eV:	-9.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC(=O)NC1=NOC=C1)C(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations