Geometry & MOs

Info

ID:	265351
PubChem CID:	103517922
Reduced:	BrON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	301.07897
ΔH_f, kcal/mol:	-30.28
Dipole, Da:	3.52
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-butan-2-yl-4-N-(2-methoxyethyl)pyridine-3,4-diamine

Drug info:

PubChemData

Smile

CC(C)N(CCCO)C1=C(C=NC=C1N)Br

DOS

IR

Vibrations