Geometry & MOs

Info

ID:	441537
PubChem CID:	135235900
Reduced:	ClOF2N4H13C19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	365.078739
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	5.33
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-difluoro-5-methoxyphenyl)-4-[6-(difluoromethyl)pyridin-3-yl]oxypyrimidine

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)OC2=C(C=CC=N2)C3=CC=CC4=C(C=NN43)Cl)(F)F

DOS

IR

Vibrations