Geometry & MOs

Info

ID:	265335
PubChem CID:	103517681
Reduced:	BrN3C9H14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	257.05276
ΔH_f, kcal/mol:	24.93
Dipole, Da:	3.75
IP(EA), eV:	-8.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-butan-2-yl-4-N-methylpyridine-3,4-diamine

Drug info:

PubChemData

Smile

CCCN(C)C1=C(C=NC=C1N)Br

DOS

IR

Vibrations