Geometry & MOs

Info

ID:	205718
PubChem CID:	80142751
Reduced:	BrClN2O2H10C11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	306.124739
ΔH_f, kcal/mol:	-18.83
Dipole, Da:	5.7
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(4-chlorophenyl)ethyl]-6-propan-2-yloxypyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

COCC1=C(C(=O)N(N1)C2=CC=CC=C2Cl)Br

DOS

IR

Vibrations