Geometry & MOs

Info

ID:	262776
PubChem CID:	103316500
Reduced:	BrN3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	283.06841
ΔH_f, kcal/mol:	14.39
Dipole, Da:	4.48
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-bromo-11-propan-2-yl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-8,10-diene

Drug info:

PubChemData

Smile

CC(C)CC1=C(C2=NCCC(N2N1)C3CCCCC3)Br

DOS

IR

Vibrations