Geometry & MOs

Info

ID:	373654
PubChem CID:	131318302
Reduced:	BrN3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	253.02146
ΔH_f, kcal/mol:	75.55
Dipole, Da:	4.68
IP(EA), eV:	-9.24(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-2-yl)-methylamino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)C(C#N)C2CC2)C

DOS

IR

Vibrations