Geometry & MOs

Info

ID:	231999
PubChem CID:	87575093
Reduced:	ClFNO3C20H23 (1)
Stoich.:	ABCD3E20F23 (1)
Weight, g/mol:	343.158372
ΔH_f, kcal/mol:	-156.92
Dipole, Da:	2.73
IP(EA), eV:	-9.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-fluoro-4-methylphenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C=O)(C2=CC=C(C=C2)OC3CCOCC3)N)F.Cl

DOS

IR

Vibrations