Geometry & MOs

Info

ID:	50902
PubChem CID:	12013493
Reduced:	BrNOC7H10 (1)
Stoich.:	ABCD7E10 (1)
Weight, g/mol:	170.96836
ΔH_f, kcal/mol:	-14.79
Dipole, Da:	3.73
IP(EA), eV:	-10.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)bicyclo[1.1.0]butane-1-carbonitrile

Drug info:

PubChemData

Smile

COC1(CC(C1)C#N)CBr

DOS

IR

Vibrations