Geometry & MOs

Info

ID:	327736
PubChem CID:	126690925
Reduced:	NC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	197.97926
ΔH_f, kcal/mol:	52.19
Dipole, Da:	1.93
IP(EA), eV:	-7.81(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z,7E)-7-bromo-6-methylidene-1H-diazocine

Drug info:

PubChemData

Smile

CC1=CCC2=CC=CC=C2N1CC3=CC=CC=C3

DOS

IR

Vibrations