Geometry & MOs

Info

ID:	210332
PubChem CID:	80789844
Reduced:	BrON4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	240.137497
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	2.79
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1COCCN1C2=NC(=NC=C2Br)NCC

DOS

IR

Vibrations