Geometry & MOs

Info

ID:	447336
PubChem CID:	135282121
Reduced:	OF3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	238.071783
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	4.22
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(difluoromethyl)-4-fluorophenyl]-6-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OCC(CC(C)C)(C(F)(F)F)N)C2=NC(=NC=C2)C

DOS

IR

Vibrations