Geometry & MOs

Info

ID:	265353
PubChem CID:	103517988
Reduced:	BrON4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	308.02727
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	4.99
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-[(6-methoxypyridin-3-yl)methyl]pyridine-3,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C(=O)N)NC1=C(C=NC=C1N)Br

DOS

IR

Vibrations