Geometry & MOs

Info

ID:	265344
PubChem CID:	103517758
Reduced:	BrN3C13H22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	297.08406
ΔH_f, kcal/mol:	7.38
Dipole, Da:	4.48
IP(EA), eV:	-8.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-cycloheptyl-4-N-methylpyridine-3,4-diamine

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=NC=C1N)Br

DOS

IR

Vibrations