Geometry & MOs

Info

ID:	198259
PubChem CID:	79076202
Reduced:	ClFON3C9H13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	336.92292
ΔH_f, kcal/mol:	-63.18
Dipole, Da:	6.42
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CCOC)NC1=NC(=NC=C1F)Cl

DOS

IR

Vibrations