Geometry & MOs

Info

ID:	296116
PubChem CID:	117557147
Reduced:	BrN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	209.164046
ΔH_f, kcal/mol:	49.39
Dipole, Da:	3.27
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-aminoethyl)-6-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=CC=C2Br)NCCN

DOS

IR

Vibrations