Geometry & MOs

Info

ID:	198241
PubChem CID:	79073051
Reduced:	ClSBr2N3H4C9 (1)
Stoich.:	ABC2D3E4F9 (1)
Weight, g/mol:	263.08254
ΔH_f, kcal/mol:	91.68
Dipole, Da:	1.34
IP(EA), eV:	-9.36(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)SC2=NC(=NC=C2Br)Cl

DOS

IR

Vibrations