Geometry & MOs

Info

ID:	296115
PubChem CID:	117557093
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	321.05891
ΔH_f, kcal/mol:	-11.27
Dipole, Da:	2.86
IP(EA), eV:	-8.87(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-aminoethyl)-4-N-(2-bromophenyl)-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=NC(=C1)N2CCC(=O)C2

DOS

IR

Vibrations