Geometry & MOs

Info

ID:	261507
PubChem CID:	103236917
Reduced:	BrCl2O2N3H8C12 (1)
Stoich.:	AB2C2D3E8F12 (1)
Weight, g/mol:	295.076848
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	3.4
IP(EA), eV:	-9.32(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(difluoromethoxy)anilino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)NCC2=NC=NC=C2C(=O)O)Cl)Br

DOS

IR

Vibrations