Geometry & MOs

Info

ID:	310863
PubChem CID:	126588245
Reduced:	INO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	315.163457
ΔH_f, kcal/mol:	-42.75
Dipole, Da:	4.17
IP(EA), eV:	-9.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2I)CC(=O)NC)C

DOS

IR

Vibrations