Geometry & MOs

Info

ID:	4516
PubChem CID:	11534
Reduced:	BrNC2H2 (1)
Stoich.:	ABC2D2 (1)
Weight, g/mol:	118.93706
ΔH_f, kcal/mol:	29.42
Dipole, Da:	3.18
IP(EA), eV:	-11.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromoacetonitrile

Drug info:

PubChemData

Smile

C(C#N)Br

DOS

IR

Vibrations