Geometry & MOs

Info

ID:	376326
PubChem CID:	134222337
Reduced:	O2F7C23H23 (1)
Stoich.:	A2B7C23D23 (1)
Weight, g/mol:	376.119876
ΔH_f, kcal/mol:	-409.98
Dipole, Da:	7.67
IP(EA), eV:	-9.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propylpyrimidine

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F)F

DOS

IR

Vibrations