Geometry & MOs

Info

ID:	32225
PubChem CID:	6435989
Reduced:	BrON3H20C30 (1)
Stoich.:	ABC3D20E30 (1)
Weight, g/mol:	250.075202
ΔH_f, kcal/mol:	109.38
Dipole, Da:	7.72
IP(EA), eV:	-8.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/C4=NC5=C(C=C(C=C5)Br)C(=O)N4C6=CC=CC=C6

DOS

IR

Vibrations