Geometry & MOs

Info

ID:	265362
PubChem CID:	103518306
Reduced:	BrN5C9H10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	312.09496
ΔH_f, kcal/mol:	80.92
Dipole, Da:	6.12
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC2=C(C=NC=C2N)Br

DOS

IR

Vibrations