Geometry & MOs

Info

ID:	145938
PubChem CID:	53615919
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	346.18567
ΔH_f, kcal/mol:	-124.23
Dipole, Da:	4.87
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-(4-fluorophenyl)oxan-4-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)CCNC(=O)OC

DOS

IR

Vibrations