Geometry & MOs

Info

ID:	320793
PubChem CID:	126663466
Reduced:	OBr2N6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	154.146999
ΔH_f, kcal/mol:	84.05
Dipole, Da:	9.56
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-propylhexanenitrile

Drug info:

PubChemData

Smile

C1CC2=C3C(=C(C(=C2Br)N4C5=CC=CC=C5N=N4)Br)N=C(N3C1)N6CCOCC6

DOS

IR

Vibrations