Geometry & MOs

Info

ID:	441942
PubChem CID:	135246833
Reduced:	F2N2O2H16C19 (1)
Stoich.:	A2B2C2D16E19 (1)
Weight, g/mol:	327.118318
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	5.32
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-methoxypyridin-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=C(N=CC=C2)OC3=CN=C(C=C3)C(F)F

DOS

IR

Vibrations