Geometry & MOs

Info

ID:	291795
PubChem CID:	113524795
Reduced:	BrN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	326.98864
ΔH_f, kcal/mol:	31.68
Dipole, Da:	4.71
IP(EA), eV:	-9.26(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-azidopropylamino)-2-(4-bromo-2-chlorophenyl)acetonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Br)NC(C)C2=CC=CC=C2

DOS

IR

Vibrations