Geometry & MOs

Info

ID:	373090
PubChem CID:	131309728
Reduced:	NOBr2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	152.131349
ΔH_f, kcal/mol:	9.36
Dipole, Da:	4.44
IP(EA), eV:	-9.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethylazepane-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1Br)CC#N)O)Br

DOS

IR

Vibrations