Geometry & MOs

Info

ID:	185787
PubChem CID:	77347672
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	482.206879
ΔH_f, kcal/mol:	-83.82
Dipole, Da:	3.41
IP(EA), eV:	-9.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-[4-(2,3-difluoro-4-prop-1-enoxyphenyl)phenyl]-2-fluorophenyl]oxan-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC(C(=O)N=C1C)CN(C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations