Geometry & MOs

Info

ID:	379752
PubChem CID:	134464276
Reduced:	ClF2N3O3H20C21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	415.170748
ΔH_f, kcal/mol:	-157.42
Dipole, Da:	9.44
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-difluoro-4-methylphenyl)methyl]-2-(4-ethoxy-2-methylanilino)-5-methoxypyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2C=C(C(=O)N=C2NC3=C(C=C(C=C3)OC(F)F)C)OC)Cl

DOS

IR

Vibrations